N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide

C19H37N3O2 — CID 11896621

IUPACN-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide
SMILESCCN(CC)CCCNC(=O)CCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C
InChIInChI=1S/C19H37N3O2/c1-5-22(6-2)14-8-13-20-18(23)11-12-19(24)21-17-10-7-9-15(3)16(17)4/h15-17H,5-14H2,1-4H3,(H,20,23)(H,21,24)/t15-,16-,17+/m0/s1
InChIKeyWRLNKECLCIJXHK-YESZJQIVSA-N
MW339.52 g/mol
LogP2.56
Rot. Bonds10

About N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide

N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide (PubChem CID 11896621) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide
PubChem CID11896621
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC NameN-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide
SMILESCCN(CC)CCCNC(=O)CCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C
InChIInChI=1S/C19H37N3O2/c1-5-22(6-2)14-8-13-20-18(23)11-12-19(24)21-17-10-7-9-15(3)16(17)4/h15-17H,5-14H2,1-4H3,(H,20,23)(H,21,24)/t15-,16-,17+/m0/s1
InChIKeyWRLNKECLCIJXHK-YESZJQIVSA-N
XLogP2.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide with MolForge

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Related Compounds

N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide
CID 46993948
N-(2,3-dimethylcyclohexyl)decanamide;ethane
CID 143436811
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
methyl 2-[[4-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-4-oxobutanoyl]amino]acetate
CID 7299825
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
N-[3-(diethylamino)propyl]-4-oxopentanamide
CID 60638247
N-(2,3-dimethylcyclohexyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111022273
tert-butyl 4-[(2,3-dimethylcyclohexyl)amino]-4-oxobutanoate
CID 106706973
2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide
CID 55116748
N'-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-[(4-fluorophenyl)methyl]butanediamide
CID 40640694
N-[3-(diethylamino)propyl]-3-piperidin-2-ylpropanamide
CID 62210496
ethyl 4-[3-(diethylamino)propylamino]-4-oxobutanoate
CID 60638277

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide (CID 11896621) is N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide is CCN(CC)CCCNC(=O)CCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C.
What is the InChIKey of N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide?
The InChIKey is WRLNKECLCIJXHK-YESZJQIVSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-5-22(6-2)14-8-13-20-18(23)11-12-19(24)21-17-10-7-9-15(3)16(17)4/h15-17H,5-14H2,1-4H3,(H,20,23)(H,21,24)/t15-,16-,17+/m0/s1.
What are the key properties of N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide?
N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide has a molecular weight of 339.52 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide is sourced from PubChem (CID 11896621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).