(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C22H26N2O3 — CID 93017883

IUPAC(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2C[C@@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)cc1
InChIInChI=1S/C22H26N2O3/c1-15(2)17-6-8-19(9-7-17)23-22(26)18-12-21(25)24(14-18)13-16-4-10-20(27-3)11-5-16/h4-11,15,18H,12-14H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeyWHOGMVSBRCPQLD-SFHVURJKSA-N
MW366.46 g/mol
LogP3.81
Rot. Bonds6

About (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 93017883) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID93017883
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2C[C@@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)cc1
InChIInChI=1S/C22H26N2O3/c1-15(2)17-6-8-19(9-7-17)23-22(26)18-12-21(25)24(14-18)13-16-4-10-20(27-3)11-5-16/h4-11,15,18H,12-14H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeyWHOGMVSBRCPQLD-SFHVURJKSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
(3S)-1-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017840
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51064472
(3R)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 35672749
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95280870
1-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183756
(3R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93018081
(3R)-5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 686357
(3R)-N-(1-ethylpyrazol-4-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95298742
(3S)-N-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018180
(3S)-1-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767576
1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 46527621

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 93017883) is (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is COc1ccc(CN2C[C@@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)cc1.
What is the InChIKey of (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is WHOGMVSBRCPQLD-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(2)17-6-8-19(9-7-17)23-22(26)18-12-21(25)24(14-18)13-16-4-10-20(27-3)11-5-16/h4-11,15,18H,12-14H2,1-3H3,(H,23,26)/t18-/m0/s1.
What are the key properties of (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 93017883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).