(3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide

C22H26N2O2 — CID 92991111

IUPAC(3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CCN(c2ccccc2Cc2ccccc2)C1=O
InChIInChI=1S/C22H26N2O2/c1-22(2,3)23-20(25)18-13-14-24(21(18)26)19-12-8-7-11-17(19)15-16-9-5-4-6-10-16/h4-12,18H,13-15H2,1-3H3,(H,23,25)/t18-/m1/s1
InChIKeyMIFVTSAKVXZUOC-GOSISDBHSA-N
MW350.46 g/mol
LogP3.55
Rot. Bonds4

About (3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide

(3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 92991111) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide
PubChem CID92991111
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CCN(c2ccccc2Cc2ccccc2)C1=O
InChIInChI=1S/C22H26N2O2/c1-22(2,3)23-20(25)18-13-14-24(21(18)26)19-12-8-7-11-17(19)15-16-9-5-4-6-10-16/h4-12,18H,13-15H2,1-3H3,(H,23,25)/t18-/m1/s1
InChIKeyMIFVTSAKVXZUOC-GOSISDBHSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.55
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

(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330805
(3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide
CID 93330810
(3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
CID 93331810
(3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 92986928
N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42656575
(3S)-N-tert-butyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 92991023
(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 93331482
N-benzyl-1-(2,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048894
(3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid
CID 40623391
methyl 1-(2-benzylphenyl)azetidine-2-carboxylate
CID 115937751
N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 20964176
2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid
CID 24688652

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide (CID 92991111) is (3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide is CC(C)(C)NC(=O)[C@H]1CCN(c2ccccc2Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is MIFVTSAKVXZUOC-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-22(2,3)23-20(25)18-13-14-24(21(18)26)19-12-8-7-11-17(19)15-16-9-5-4-6-10-16/h4-12,18H,13-15H2,1-3H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide?
(3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92991111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).