3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide

C18H25N3O2 — CID 119806294

IUPAC3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2CCCC(N)C2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-12-10-16(18(23)21(12)15-8-3-2-4-9-15)20-17(22)13-6-5-7-14(19)11-13/h2-4,8-9,12-14,16H,5-7,10-11,19H2,1H3,(H,20,22)
InChIKeyTYFOPPACHPXCOL-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.81
Rot. Bonds3

About 3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide

3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide (PubChem CID 119806294) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide
PubChem CID119806294
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2CCCC(N)C2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-12-10-16(18(23)21(12)15-8-3-2-4-9-15)20-17(22)13-6-5-7-14(19)11-13/h2-4,8-9,12-14,16H,5-7,10-11,19H2,1H3,(H,20,22)
InChIKeyTYFOPPACHPXCOL-UHFFFAOYSA-N
XLogP1.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119336511
cis-(1S,3R)-2,2-dimethyl-3-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122065674
(2R)-2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119336526
1-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 119336522
3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119336507
(2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 125152093
2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 124626029
2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide
CID 120795162
(2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 120935420
3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119716211
3-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 63042687
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 63041813

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide (CID 119806294) is 3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide is CC1CC(NC(=O)C2CCCC(N)C2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is TYFOPPACHPXCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-10-16(18(23)21(12)15-8-3-2-4-9-15)20-17(22)13-6-5-7-14(19)11-13/h2-4,8-9,12-14,16H,5-7,10-11,19H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide?
3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119806294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).