1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide

C23H28N2O2 — CID 113187102

IUPAC1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(c2ccccc2C(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-16(17-10-6-5-7-11-17)24-22(27)18-14-21(26)25(15-18)20-13-9-8-12-19(20)23(2,3)4/h5-13,16,18H,14-15H2,1-4H3,(H,24,27)
InChIKeyVXCGHEGXIWZVIP-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.21
Rot. Bonds4

About 1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide

1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 113187102) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID113187102
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(c2ccccc2C(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-16(17-10-6-5-7-11-17)24-22(27)18-14-21(26)25(15-18)20-13-9-8-12-19(20)23(2,3)4/h5-13,16,18H,14-15H2,1-4H3,(H,24,27)
InChIKeyVXCGHEGXIWZVIP-UHFFFAOYSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41178267
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996
1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
methyl 2-[2-oxo-4-(1-phenylethylcarbamoyl)pyrrolidin-1-yl]benzoate
CID 113189141
1-(2-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46586593
(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 684343
1-(2-methoxyphenyl)-5-oxo-N-(1-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 78775658
(3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9056335
1-(3-methylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 45010553
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9392169
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187153

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide (CID 113187102) is 1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide is CC(NC(=O)C1CC(=O)N(c2ccccc2C(C)(C)C)C1)c1ccccc1.
What is the InChIKey of 1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is VXCGHEGXIWZVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16(17-10-6-5-7-11-17)24-22(27)18-14-21(26)25(15-18)20-13-9-8-12-19(20)23(2,3)4/h5-13,16,18H,14-15H2,1-4H3,(H,24,27).
What are the key properties of 1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113187102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).