N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide

C19H26N2O2 — CID 90983267

IUPACN-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(CC2CCCCC2)C1=O
InChIInChI=1S/C19H26N2O2/c22-18(20-13-15-7-3-1-4-8-15)17-11-12-21(19(17)23)14-16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,20,22)
InChIKeyWYGPXMKSNXOFET-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.73
Rot. Bonds5

About N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide

N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 90983267) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID90983267
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(CC2CCCCC2)C1=O
InChIInChI=1S/C19H26N2O2/c22-18(20-13-15-7-3-1-4-8-15)17-11-12-21(19(17)23)14-16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,20,22)
InChIKeyWYGPXMKSNXOFET-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 166256008
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610
(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330805
N-benzylcyclopentanecarboxamide
CID 835634
1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 154780666
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92725760
N-benzyl-1-(2,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048894
N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 86909124
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
N-benzylcyclobutanecarboxamide
CID 730128
2-oxo-1-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 20964223
1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
CID 43815765

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide (CID 90983267) is N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide is O=C(NCc1ccccc1)C1CCN(CC2CCCCC2)C1=O.
What is the InChIKey of N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is WYGPXMKSNXOFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-18(20-13-15-7-3-1-4-8-15)17-11-12-21(19(17)23)14-16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,20,22).
What are the key properties of N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide?
N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90983267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).