(3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C21H23N3O3 — CID 51881813

IUPAC(3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1
InChIInChI=1S/C21H23N3O3/c1-22-20(26)16-8-5-9-18(12-16)23-21(27)17-13-19(25)24(14-17)11-10-15-6-3-2-4-7-15/h2-9,12,17H,10-11,13-14H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1
InChIKeyFSHVVNBFJAPEJO-KRWDZBQOSA-N
MW365.43 g/mol
LogP2.08
Rot. Bonds6

About (3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

(3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 51881813) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID51881813
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1
InChIInChI=1S/C21H23N3O3/c1-22-20(26)16-8-5-9-18(12-16)23-21(27)17-13-19(25)24(14-17)11-10-15-6-3-2-4-7-15/h2-9,12,17H,10-11,13-14H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1
InChIKeyFSHVVNBFJAPEJO-KRWDZBQOSA-N
XLogP2.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(dimethylamino)methyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 86931938
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55660842
N-(3,4-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46797618
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 108805610
(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 26085822
N-(3-acetylphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182587
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 22051514
N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185321
1-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185071
N-(2-benzylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4820474

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 51881813) is (3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is CNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1.
What is the InChIKey of (3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is FSHVVNBFJAPEJO-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-22-20(26)16-8-5-9-18(12-16)23-21(27)17-13-19(25)24(14-17)11-10-15-6-3-2-4-7-15/h2-9,12,17H,10-11,13-14H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1.
What are the key properties of (3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51881813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).