N-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide

C203H413N41O25S — CID 157335895

IUPACN-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide
SMILESCC(=O)N1CC(C)C1.CC(=O)N1CCC(C)CC1.CC(=O)NC(C)C.CC(=O)NCCN(C)C.CC1CC1.CC1CCC(O)CC1.CC1CCC1.CC1CCN(C(=O)CO)CC1.CC1CCN(C)CC1.CC1CCN(CCO)CC1.CC1CCNCC1.CC1CN(C(=O)CO)C1.CC1CN(C)C1.CCC1CCOCC1.CCN1CC(=O)NC1=O.CCN1CCCC1=O.CCN1CCC[C@@H]1CO.CCN1CCN(C)C[C@@H]1C.CCN1CCN(C)[C@@H](C)C1.CCN1CCN(C)[C@H](C)C1.CCN1CCN2NNC=C2C1.CCN1CCNC(=O)C1.CCN1CCNC1=O.CCN1CCOCC1.CCN1CCOCC1=O.CCN1CCS(=O)(=O)CC1.CCN1C[C@H](C)N(C)C[C@@H]1C.CCNC(C)=O.CCNC(C)=O.CCNC1CC1.CCc1ccncc1.CCn1ccnc1.CNC(C)=O
InChIInChI=1S/C9H20N2.3C8H18N2.C8H15NO2.C8H15NO.C8H17NO.C7H14N4.C7H15NO.C7H15N.C7H9N.2C7H14O.C6H12N2O.C6H14N2O.C6H13NO2S.2C6H11NO2.C6H11NO.C6H13NO.C6H11NO.C6H13N.C5H8N2O2.C5H10N2O.C5H8N2.C5H11NO.2C5H11N.C5H10.2C4H9NO.C4H8.C3H7NO/c1-5-11-7-8(2)10(4)6-9(11)3;2*1-4-10-6-5-9(3)8(2)7-10;1-4-10-6-5-9(3)7-8(10)2;1-7-2-4-9(5-3-7)8(11)6-10;1-7-3-5-9(6-4-7)8(2)10;1-8-2-4-9(5-3-8)6-7-10;1-2-10-3-4-11-7(6-10)5-8-9-11;1-2-8-5-3-4-7(8)6-9;1-7-3-5-8(2)6-4-7;1-2-7-3-5-8-6-4-7;1-6-2-4-7(8)5-3-6;1-2-7-3-5-8-6-4-7;1-2-8-4-3-7-6(9)5-8;1-6(9)7-4-5-8(2)3;1-2-7-3-5-10(8,9)6-4-7;1-5-2-7(3-5)6(9)4-8;1-2-7-3-4-9-5-6(7)8;1-5-3-7(4-5)6(2)8;1-2-7-3-5-8-6-4-7;1-2-7-5-3-4-6(7)8;1-6-2-4-7-5-3-6;1-2-7-3-4(8)6-5(7)9;1-2-7-4-3-6-5(7)8;1-2-7-4-3-6-5-7;1-4(2)6-5(3)7;1-5-3-6(2)4-5;1-2-6-5-3-4-5;1-5-3-2-4-5;2*1-3-5-4(2)6;1-4-2-3-4;1-3(5)4-2/h8-9H,5-7H2,1-4H3;3*8H,4-7H2,1-3H3;7,10H,2-6H2,1H3;7H,3-6H2,1-2H3;8,10H,2-7H2,1H3;5,8-9H,2-4,6H2,1H3;7,9H,2-6H2,1H3;7H,3-6H2,1-2H3;3-6H,2H2,1H3;6-8H,2-5H2,1H3;7H,2-6H2,1H3;2-5H2,1H3,(H,7,9);4-5H2,1-3H3,(H,7,9);2-6H2,1H3;5,8H,2-4H2,1H3;2-5H2,1H3;5H,3-4H2,1-2H3;2-6H2,1H3;2-5H2,1H3;6-7H,2-5H2,1H3;2-3H2,1H3,(H,6,8,9);2-4H2,1H3,(H,6,8);3-5H,2H2,1H3;4H,1-3H3,(H,6,7);5H,3-4H2,1-2H3;5-6H,2-4H2,1H3;5H,2-4H2,1H3;2*3H2,1-2H3,(H,5,6);4H,2-3H2,1H3;1-2H3,(H,4,5)/t8-,9-;3*8-;;;;;7-;;;;;;;;;;;;;;;;;;;;;;;;/m0100....1......................../s1
InChIKeyBFVHOIWVKQQXPJ-IAUYPQKUSA-N
MW3860.87 g/mol
LogP17.74
Rot. Bonds29

About N-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide

N-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide (PubChem CID 157335895) has the molecular formula C203H413N41O25S and a molecular weight of 3860.87 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide
PubChem CID157335895
Molecular FormulaC203H413N41O25S
Molecular Weight3860.87 g/mol
Exact Mass3858.20
IUPAC NameN-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide
SMILESCC(=O)N1CC(C)C1.CC(=O)N1CCC(C)CC1.CC(=O)NC(C)C.CC(=O)NCCN(C)C.CC1CC1.CC1CCC(O)CC1.CC1CCC1.CC1CCN(C(=O)CO)CC1.CC1CCN(C)CC1.CC1CCN(CCO)CC1.CC1CCNCC1.CC1CN(C(=O)CO)C1.CC1CN(C)C1.CCC1CCOCC1.CCN1CC(=O)NC1=O.CCN1CCCC1=O.CCN1CCC[C@@H]1CO.CCN1CCN(C)C[C@@H]1C.CCN1CCN(C)[C@@H](C)C1.CCN1CCN(C)[C@H](C)C1.CCN1CCN2NNC=C2C1.CCN1CCNC(=O)C1.CCN1CCNC1=O.CCN1CCOCC1.CCN1CCOCC1=O.CCN1CCS(=O)(=O)CC1.CCN1C[C@H](C)N(C)C[C@@H]1C.CCNC(C)=O.CCNC(C)=O.CCNC1CC1.CCc1ccncc1.CCn1ccnc1.CNC(C)=O
InChIInChI=1S/C9H20N2.3C8H18N2.C8H15NO2.C8H15NO.C8H17NO.C7H14N4.C7H15NO.C7H15N.C7H9N.2C7H14O.C6H12N2O.C6H14N2O.C6H13NO2S.2C6H11NO2.C6H11NO.C6H13NO.C6H11NO.C6H13N.C5H8N2O2.C5H10N2O.C5H8N2.C5H11NO.2C5H11N.C5H10.2C4H9NO.C4H8.C3H7NO/c1-5-11-7-8(2)10(4)6-9(11)3;2*1-4-10-6-5-9(3)8(2)7-10;1-4-10-6-5-9(3)7-8(10)2;1-7-2-4-9(5-3-7)8(11)6-10;1-7-3-5-9(6-4-7)8(2)10;1-8-2-4-9(5-3-8)6-7-10;1-2-10-3-4-11-7(6-10)5-8-9-11;1-2-8-5-3-4-7(8)6-9;1-7-3-5-8(2)6-4-7;1-2-7-3-5-8-6-4-7;1-6-2-4-7(8)5-3-6;1-2-7-3-5-8-6-4-7;1-2-8-4-3-7-6(9)5-8;1-6(9)7-4-5-8(2)3;1-2-7-3-5-10(8,9)6-4-7;1-5-2-7(3-5)6(9)4-8;1-2-7-3-4-9-5-6(7)8;1-5-3-7(4-5)6(2)8;1-2-7-3-5-8-6-4-7;1-2-7-5-3-4-6(7)8;1-6-2-4-7-5-3-6;1-2-7-3-4(8)6-5(7)9;1-2-7-4-3-6-5(7)8;1-2-7-4-3-6-5-7;1-4(2)6-5(3)7;1-5-3-6(2)4-5;1-2-6-5-3-4-5;1-5-3-2-4-5;2*1-3-5-4(2)6;1-4-2-3-4;1-3(5)4-2/h8-9H,5-7H2,1-4H3;3*8H,4-7H2,1-3H3;7,10H,2-6H2,1H3;7H,3-6H2,1-2H3;8,10H,2-7H2,1H3;5,8-9H,2-4,6H2,1H3;7,9H,2-6H2,1H3;7H,3-6H2,1-2H3;3-6H,2H2,1H3;6-8H,2-5H2,1H3;7H,2-6H2,1H3;2-5H2,1H3,(H,7,9);4-5H2,1-3H3,(H,7,9);2-6H2,1H3;5,8H,2-4H2,1H3;2-5H2,1H3;5H,3-4H2,1-2H3;2-6H2,1H3;2-5H2,1H3;6-7H,2-5H2,1H3;2-3H2,1H3,(H,6,8,9);2-4H2,1H3,(H,6,8);3-5H,2H2,1H3;4H,1-3H3,(H,6,7);5H,3-4H2,1-2H3;5-6H,2-4H2,1H3;5H,2-4H2,1H3;2*3H2,1-2H3,(H,5,6);4H,2-3H2,1H3;1-2H3,(H,4,5)/t8-,9-;3*8-;;;;;7-;;;;;;;;;;;;;;;;;;;;;;;;/m0100....1......................../s1
InChIKeyBFVHOIWVKQQXPJ-IAUYPQKUSA-N
XLogP17.74
TPSA678.34 Ų
H-Bond Donors17
H-Bond Acceptors50
Rotatable Bonds29
Heavy Atoms270
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003860.87
LogP ≤ 517.74
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide (CID 157335895) is N-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide is CC(=O)N1CC(C)C1.CC(=O)N1CCC(C)CC1.CC(=O)NC(C)C.CC(=O)NCCN(C)C.CC1CC1.CC1CCC(O)CC1.CC1CCC1.CC1CCN(C(=O)CO)CC1.CC1CCN(C)CC1.CC1CCN(CCO)CC1.CC1CCNCC1.CC1CN(C(=O)CO)C1.CC1CN(C)C1.CCC1CCOCC1.CCN1CC(=O)NC1=O.CCN1CCCC1=O.CCN1CCC[C@@H]1CO.CCN1CCN(C)C[C@@H]1C.CCN1CCN(C)[C@@H](C)C1.CCN1CCN(C)[C@H](C)C1.CCN1CCN2NNC=C2C1.CCN1CCNC(=O)C1.CCN1CCNC1=O.CCN1CCOCC1.CCN1CCOCC1=O.CCN1CCS(=O)(=O)CC1.CCN1C[C@H](C)N(C)C[C@@H]1C.CCNC(C)=O.CCNC(C)=O.CCNC1CC1.CCc1ccncc1.CCn1ccnc1.CNC(C)=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide?
The InChIKey is BFVHOIWVKQQXPJ-IAUYPQKUSA-N. The full InChI is InChI=1S/C9H20N2.3C8H18N2.C8H15NO2.C8H15NO.C8H17NO.C7H14N4.C7H15NO.C7H15N.C7H9N.2C7H14O.C6H12N2O.C6H14N2O.C6H13NO2S.2C6H11NO2.C6H11NO.C6H13NO.C6H11NO.C6H13N.C5H8N2O2.C5H10N2O.C5H8N2.C5H11NO.2C5H11N.C5H10.2C4H9NO.C4H8.C3H7NO/c1-5-11-7-8(2)10(4)6-9(11)3;2*1-4-10-6-5-9(3)8(2)7-10;1-4-10-6-5-9(3)7-8(10)2;1-7-2-4-9(5-3-7)8(11)6-10;1-7-3-5-9(6-4-7)8(2)10;1-8-2-4-9(5-3-8)6-7-10;1-2-10-3-4-11-7(6-10)5-8-9-11;1-2-8-5-3-4-7(8)6-9;1-7-3-5-8(2)6-4-7;1-2-7-3-5-8-6-4-7;1-6-2-4-7(8)5-3-6;1-2-7-3-5-8-6-4-7;1-2-8-4-3-7-6(9)5-8;1-6(9)7-4-5-8(2)3;1-2-7-3-5-10(8,9)6-4-7;1-5-2-7(3-5)6(9)4-8;1-2-7-3-4-9-5-6(7)8;1-5-3-7(4-5)6(2)8;1-2-7-3-5-8-6-4-7;1-2-7-5-3-4-6(7)8;1-6-2-4-7-5-3-6;1-2-7-3-4(8)6-5(7)9;1-2-7-4-3-6-5(7)8;1-2-7-4-3-6-5-7;1-4(2)6-5(3)7;1-5-3-6(2)4-5;1-2-6-5-3-4-5;1-5-3-2-4-5;2*1-3-5-4(2)6;1-4-2-3-4;1-3(5)4-2/h8-9H,5-7H2,1-4H3;3*8H,4-7H2,1-3H3;7,10H,2-6H2,1H3;7H,3-6H2,1-2H3;8,10H,2-7H2,1H3;5,8-9H,2-4,6H2,1H3;7,9H,2-6H2,1H3;7H,3-6H2,1-2H3;3-6H,2H2,1H3;6-8H,2-5H2,1H3;7H,2-6H2,1H3;2-5H2,1H3,(H,7,9);4-5H2,1-3H3,(H,7,9);2-6H2,1H3;5,8H,2-4H2,1H3;2-5H2,1H3;5H,3-4H2,1-2H3;2-6H2,1H3;2-5H2,1H3;6-7H,2-5H2,1H3;2-3H2,1H3,(H,6,8,9);2-4H2,1H3,(H,6,8);3-5H,2H2,1H3;4H,1-3H3,(H,6,7);5H,3-4H2,1-2H3;5-6H,2-4H2,1H3;5H,2-4H2,1H3;2*3H2,1-2H3,(H,5,6);4H,2-3H2,1H3;1-2H3,(H,4,5)/t8-,9-;3*8-;;;;;7-;;;;;;;;;;;;;;;;;;;;;;;;/m0100....1......................../s1.
What are the key properties of N-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide?
N-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide has a molecular weight of 3860.87 g/mol, XLogP of 17.74, 29 rotatable bonds, 17 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide is sourced from PubChem (CID 157335895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).