(3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

C24H29N3O3 — CID 9400257

IUPAC(3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)CC1=O
InChIInChI=1S/C24H29N3O3/c1-3-4-13-27-16-19(14-22(27)28)23(29)26-21-8-6-5-7-20(21)24(30)25-15-18-11-9-17(2)10-12-18/h5-12,19H,3-4,13-16H2,1-2H3,(H,25,30)(H,26,29)/t19-/m1/s1
InChIKeyYMDLKMXAILOVFN-LJQANCHMSA-N
MW407.51 g/mol
LogP3.51
Rot. Bonds8

About (3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9400257) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9400257
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)CC1=O
InChIInChI=1S/C24H29N3O3/c1-3-4-13-27-16-19(14-22(27)28)23(29)26-21-8-6-5-7-20(21)24(30)25-15-18-11-9-17(2)10-12-18/h5-12,19H,3-4,13-16H2,1-2H3,(H,25,30)(H,26,29)/t19-/m1/s1
InChIKeyYMDLKMXAILOVFN-LJQANCHMSA-N
XLogP3.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 17082543
(3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41066253
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822792
(3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822791
N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082104
1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082588
ethyl 2-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate
CID 17153507
N-[2-(2-methylpropylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46451207
N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17151943
(3R)-1-[2-(4-fluorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9374070
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390142
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 120604067

Frequently Asked Questions

What is the IUPAC name of (3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 9400257) is (3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is CCCCN1C[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)CC1=O.
What is the InChIKey of (3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YMDLKMXAILOVFN-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-4-13-27-16-19(14-22(27)28)23(29)26-21-8-6-5-7-20(21)24(30)25-15-18-11-9-17(2)10-12-18/h5-12,19H,3-4,13-16H2,1-2H3,(H,25,30)(H,26,29)/t19-/m1/s1.
What are the key properties of (3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.51, 8 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-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9400257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).