N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone

C62H107N7O8 — CID 158725021

IUPACN,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCCN(CC)CCOC.CCN(CCN(C)C)C(C)=O.COCCN1CCOCC1.Cc1ccc(C(=O)N2CCC(C)CC2)cc1.Cc1ccc(OCCN2CCCC2)cc1.Cc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C14H19NO.C13H19NO2.C13H19NO.C8H18N2O.C7H15NO2.C7H17NO/c1-11-3-5-13(6-4-11)14(16)15-9-7-12(2)8-10-15;1-12-2-4-13(5-3-12)16-11-8-14-6-9-15-10-7-14;1-12-4-6-13(7-5-12)15-11-10-14-8-2-3-9-14;1-5-10(8(2)11)7-6-9(3)4;1-9-5-2-8-3-6-10-7-4-8;1-4-8(5-2)6-7-9-3/h3-6,12H,7-10H2,1-2H3;2-5H,6-11H2,1H3;4-7H,2-3,8-11H2,1H3;5-7H2,1-4H3;2-7H2,1H3;4-7H2,1-3H3
InChIKeyIKJWZDKOSKIPCW-UHFFFAOYSA-N
MW1078.58 g/mol
LogP8.40
Rot. Bonds21

About N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone

N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 158725021) has the molecular formula C62H107N7O8 and a molecular weight of 1078.58 g/mol. Its IUPAC name is N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound NameN,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID158725021
Molecular FormulaC62H107N7O8
Molecular Weight1078.58 g/mol
Exact Mass1077.82
IUPAC NameN,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCCN(CC)CCOC.CCN(CCN(C)C)C(C)=O.COCCN1CCOCC1.Cc1ccc(C(=O)N2CCC(C)CC2)cc1.Cc1ccc(OCCN2CCCC2)cc1.Cc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C14H19NO.C13H19NO2.C13H19NO.C8H18N2O.C7H15NO2.C7H17NO/c1-11-3-5-13(6-4-11)14(16)15-9-7-12(2)8-10-15;1-12-2-4-13(5-3-12)16-11-8-14-6-9-15-10-7-14;1-12-4-6-13(7-5-12)15-11-10-14-8-2-3-9-14;1-5-10(8(2)11)7-6-9(3)4;1-9-5-2-8-3-6-10-7-4-8;1-4-8(5-2)6-7-9-3/h3-6,12H,7-10H2,1-2H3;2-5H,6-11H2,1H3;4-7H,2-3,8-11H2,1H3;5-7H2,1-4H3;2-7H2,1H3;4-7H2,1-3H3
InChIKeyIKJWZDKOSKIPCW-UHFFFAOYSA-N
XLogP8.40
TPSA112.20 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001078.58
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 157308320
1-methoxy-N,N-dimethylmethanamine;4-(methoxymethyl)morpholine;1-(methoxymethyl)pyrrolidine;1-[(4-methylphenoxy)methyl]piperidine;1-[(4-methylphenoxy)methyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;1-(4-methylpiperazin-1-yl)ethanone
CID 158722862
[4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone
CID 119520334
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide
CID 51123387
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
(3S)-1-[4-[2-(diethylamino)ethoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124610415
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110638166
(2S,3R)-2-(4-methylphenyl)-1-[4-(2-piperidin-1-ylethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 110142385
(4-methylcyclohexyl)-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]methanone
CID 10072727
3,9-diazabicyclo[4.2.1]nonan-3-yl-[4-[2-(diethylamino)ethoxy]phenyl]methanone
CID 119638759

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone (CID 158725021) is N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone is CCN(CC)CCOC.CCN(CCN(C)C)C(C)=O.COCCN1CCOCC1.Cc1ccc(C(=O)N2CCC(C)CC2)cc1.Cc1ccc(OCCN2CCCC2)cc1.Cc1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is IKJWZDKOSKIPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C13H19NO2.C13H19NO.C8H18N2O.C7H15NO2.C7H17NO/c1-11-3-5-13(6-4-11)14(16)15-9-7-12(2)8-10-15;1-12-2-4-13(5-3-12)16-11-8-14-6-9-15-10-7-14;1-12-4-6-13(7-5-12)15-11-10-14-8-2-3-9-14;1-5-10(8(2)11)7-6-9(3)4;1-9-5-2-8-3-6-10-7-4-8;1-4-8(5-2)6-7-9-3/h3-6,12H,7-10H2,1-2H3;2-5H,6-11H2,1H3;4-7H,2-3,8-11H2,1H3;5-7H2,1-4H3;2-7H2,1H3;4-7H2,1-3H3.
What are the key properties of N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 1078.58 g/mol, XLogP of 8.40, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 158725021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).