2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate

C26H61N5O4 — CID 142259663

IUPAC2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate
SMILESCC.CCC(=O)OC.CCCCNCC.CCN(CCNC)C(C)=O.CCNC(=O)C(C)N(C)C
InChIInChI=1S/2C7H16N2O.C6H15N.C4H8O2.C2H6/c1-5-8-7(10)6(2)9(3)4;1-4-9(7(2)10)6-5-8-3;1-3-5-6-7-4-2;1-3-4(5)6-2;1-2/h6H,5H2,1-4H3,(H,8,10);8H,4-6H2,1-3H3;7H,3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyKLCWKNWJEPXLQP-UHFFFAOYSA-N
MW507.81 g/mol
LogP3.14
Rot. Bonds12

About 2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate

2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate (PubChem CID 142259663) has the molecular formula C26H61N5O4 and a molecular weight of 507.81 g/mol. Its IUPAC name is 2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate.

Molecular Properties

Compound Name2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate
PubChem CID142259663
Molecular FormulaC26H61N5O4
Molecular Weight507.81 g/mol
Exact Mass507.47
IUPAC Name2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate
SMILESCC.CCC(=O)OC.CCCCNCC.CCN(CCNC)C(C)=O.CCNC(=O)C(C)N(C)C
InChIInChI=1S/2C7H16N2O.C6H15N.C4H8O2.C2H6/c1-5-8-7(10)6(2)9(3)4;1-4-9(7(2)10)6-5-8-3;1-3-5-6-7-4-2;1-3-4(5)6-2;1-2/h6H,5H2,1-4H3,(H,8,10);8H,4-6H2,1-3H3;7H,3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyKLCWKNWJEPXLQP-UHFFFAOYSA-N
XLogP3.14
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.81
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-octadecylpropanamide
CID 161206779
methyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62010774
N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen
CID 142122346
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
CID 60722434
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]propanamide
CID 113053508
N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide
CID 62641738
N'-ethyl-N,N'-dimethylpropane-1,3-diamine;N-ethyl-N-methylbutan-1-amine;N,N',N'-triethylpropane-1,3-diamine
CID 159847702
methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate
CID 60677105
3-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide
CID 62838043
methyl 3-[[2-(butylamino)-2-oxoethyl]-ethylamino]propanoate
CID 62026967
2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid
CID 174659054
2-amino-N-ethyl-N-[2-(methylamino)ethyl]acetamide
CID 145342437

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate?
The IUPAC name of 2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate (CID 142259663) is 2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate.
What is the SMILES notation for 2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate?
The canonical SMILES for 2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate is CC.CCC(=O)OC.CCCCNCC.CCN(CCNC)C(C)=O.CCNC(=O)C(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate?
The InChIKey is KLCWKNWJEPXLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16N2O.C6H15N.C4H8O2.C2H6/c1-5-8-7(10)6(2)9(3)4;1-4-9(7(2)10)6-5-8-3;1-3-5-6-7-4-2;1-3-4(5)6-2;1-2/h6H,5H2,1-4H3,(H,8,10);8H,4-6H2,1-3H3;7H,3-6H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate?
2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate has a molecular weight of 507.81 g/mol, XLogP of 3.14, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-ethylpropanamide;ethane;N-ethylbutan-1-amine;N-ethyl-N-[2-(methylamino)ethyl]acetamide;methyl propanoate is sourced from PubChem (CID 142259663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).