N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide

C17H31N3O2 — CID 110279144

IUPACN-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCN(C)CC1CCCCC1NC(=O)CCC(=O)N1CCCC1
InChIInChI=1S/C17H31N3O2/c1-19(2)13-14-7-3-4-8-15(14)18-16(21)9-10-17(22)20-11-5-6-12-20/h14-15H,3-13H2,1-2H3,(H,18,21)
InChIKeyDSQNIISKZNAAAZ-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.63
Rot. Bonds6

About N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide

N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 110279144) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID110279144
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCN(C)CC1CCCCC1NC(=O)CCC(=O)N1CCCC1
InChIInChI=1S/C17H31N3O2/c1-19(2)13-14-7-3-4-8-15(14)18-16(21)9-10-17(22)20-11-5-6-12-20/h14-15H,3-13H2,1-2H3,(H,18,21)
InChIKeyDSQNIISKZNAAAZ-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide
CID 110279195
3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide
CID 110279159
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide
CID 28587516
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide
CID 28587515
N-cycloheptyl-4-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanamide
CID 131934406
4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119610286
4-[[2-(hydroxymethyl)cyclohexyl]amino]-4-oxobutanoic acid
CID 106359284
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-fluorobenzamide
CID 110279233
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine
CID 22812116
4-[[2-(3-carboxypropanoylamino)cyclohexyl]amino]-4-oxobutanoic acid
CID 2913415

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 110279144) is N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide is CN(C)CC1CCCCC1NC(=O)CCC(=O)N1CCCC1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is DSQNIISKZNAAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-19(2)13-14-7-3-4-8-15(14)18-16(21)9-10-17(22)20-11-5-6-12-20/h14-15H,3-13H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 309.45 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 110279144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).