1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide

C15H27N3O2 — CID 64553576

IUPAC1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(C)CC(=O)N2CCCC2)C1
InChIInChI=1S/C15H27N3O2/c1-12-6-5-7-15(16,10-12)14(20)17(2)11-13(19)18-8-3-4-9-18/h12H,3-11,16H2,1-2H3
InChIKeyXNFUXWUFCBXQRR-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.97
Rot. Bonds3

About 1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide

1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide (PubChem CID 64553576) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
PubChem CID64553576
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(C)CC(=O)N2CCCC2)C1
InChIInChI=1S/C15H27N3O2/c1-12-6-5-7-15(16,10-12)14(20)17(2)11-13(19)18-8-3-4-9-18/h12H,3-11,16H2,1-2H3
InChIKeyXNFUXWUFCBXQRR-UHFFFAOYSA-N
XLogP0.97
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
CID 64555060
1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 64551042
1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 114948978
1-amino-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclohexane-1-carboxamide
CID 64551045
2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid
CID 64552528
1-amino-N,3-dimethyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide
CID 64549415
2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid
CID 79268686
1-amino-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119290917
1-amino-N-cyclopropyl-3-methyl-N-propylcyclohexane-1-carboxamide
CID 64550261
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]butanoic acid
CID 64554226
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188

Frequently Asked Questions

What is the IUPAC name of 1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide (CID 64553576) is 1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)N(C)CC(=O)N2CCCC2)C1.
What is the InChIKey of 1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is XNFUXWUFCBXQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12-6-5-7-15(16,10-12)14(20)17(2)11-13(19)18-8-3-4-9-18/h12H,3-11,16H2,1-2H3.
What are the key properties of 1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64553576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).