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

C20H29N3O3 — CID 9352665

IUPAC(3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C20H29N3O3/c1-19(2,3)22-18(26)14-9-7-8-10-15(14)21-17(25)13-11-16(24)23(12-13)20(4,5)6/h7-10,13H,11-12H2,1-6H3,(H,21,25)(H,22,26)/t13-/m1/s1
InChIKeyPVVKGUAVUIFIRU-CYBMUJFWSA-N
MW359.47 g/mol
LogP2.80
Rot. Bonds3

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

(3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9352665) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9352665
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C20H29N3O3/c1-19(2,3)22-18(26)14-9-7-8-10-15(14)21-17(25)13-11-16(24)23(12-13)20(4,5)6/h7-10,13H,11-12H2,1-6H3,(H,21,25)(H,22,26)/t13-/m1/s1
InChIKeyPVVKGUAVUIFIRU-CYBMUJFWSA-N
XLogP2.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082103
(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390159
1-tert-butyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081100
(3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 129352034
N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 53277973
1-tert-butyl-N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108538210
3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-4-hydroxybenzoic acid
CID 108753950
(2S,4S)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620334
(3S)-1-(2-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35544399
N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153142
(3S)-N-(4-bromophenyl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352311
1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55870262

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 9352665) is (3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of (3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PVVKGUAVUIFIRU-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-19(2,3)22-18(26)14-9-7-8-10-15(14)21-17(25)13-11-16(24)23(12-13)20(4,5)6/h7-10,13H,11-12H2,1-6H3,(H,21,25)(H,22,26)/t13-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9352665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).