(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide

C16H22N2O2 — CID 93331482

IUPAC(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC[C@@H](C(=O)NCC(C)C)C1=O
InChIInChI=1S/C16H22N2O2/c1-11(2)10-17-15(19)13-8-9-18(16(13)20)14-7-5-4-6-12(14)3/h4-7,11,13H,8-10H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyIDAAHYRLOWOICP-ZDUSSCGKSA-N
MW274.36 g/mol
LogP2.12
Rot. Bonds4

About (3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide

(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 93331482) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID93331482
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC[C@@H](C(=O)NCC(C)C)C1=O
InChIInChI=1S/C16H22N2O2/c1-11(2)10-17-15(19)13-8-9-18(16(13)20)14-7-5-4-6-12(14)3/h4-7,11,13H,8-10H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyIDAAHYRLOWOICP-ZDUSSCGKSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.12
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

N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42656575
N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide
CID 46048952
1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 42853703
N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42853497
N-benzyl-1-(2,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048894
1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide
CID 112834405
N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 110902995
(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330805
N-butan-2-yl-1-(5-chloro-2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46744134
(2R)-3-[[(3S)-1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 124690681
(3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 92991416
1-(2-methoxyphenyl)-N-[(3-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 42853763

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide (CID 93331482) is (3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide is Cc1ccccc1N1CC[C@@H](C(=O)NCC(C)C)C1=O.
What is the InChIKey of (3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is IDAAHYRLOWOICP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)10-17-15(19)13-8-9-18(16(13)20)14-7-5-4-6-12(14)3/h4-7,11,13H,8-10H2,1-3H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide?
(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 93331482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).