(3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C22H31N3O3 — CID 41066253

IUPAC(3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C22H31N3O3/c1-2-3-13-25-15-16(14-20(25)26)21(27)24-19-12-8-7-11-18(19)22(28)23-17-9-5-4-6-10-17/h7-8,11-12,16-17H,2-6,9-10,13-15H2,1H3,(H,23,28)(H,24,27)/t16-/m1/s1
InChIKeyUMOWGDICPOGJCO-MRXNPFEDSA-N
MW385.51 g/mol
LogP3.34
Rot. Bonds7

About (3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 41066253) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is (3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID41066253
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name(3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C22H31N3O3/c1-2-3-13-25-15-16(14-20(25)26)21(27)24-19-12-8-7-11-18(19)22(28)23-17-9-5-4-6-10-17/h7-8,11-12,16-17H,2-6,9-10,13-15H2,1H3,(H,23,28)(H,24,27)/t16-/m1/s1
InChIKeyUMOWGDICPOGJCO-MRXNPFEDSA-N
XLogP3.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26084194
ethyl 2-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 17082543
(3S)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 7477639
(3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9400257
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 992778
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 992776
N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17204425
(3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373789
N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970623
1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082588
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 120604067
(3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26905657

Frequently Asked Questions

What is the IUPAC name of (3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 41066253) is (3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCCCN1C[C@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1=O.
What is the InChIKey of (3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UMOWGDICPOGJCO-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-2-3-13-25-15-16(14-20(25)26)21(27)24-19-12-8-7-11-18(19)22(28)23-17-9-5-4-6-10-17/h7-8,11-12,16-17H,2-6,9-10,13-15H2,1H3,(H,23,28)(H,24,27)/t16-/m1/s1.
What are the key properties of (3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 41066253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).