(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C22H25N3O3 — CID 29449322

IUPAC(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)NC(C)C)CC1=O
InChIInChI=1S/C22H25N3O3/c1-14(2)23-22(28)17-9-5-6-10-18(17)24-21(27)16-12-20(26)25(13-16)19-11-7-4-8-15(19)3/h4-11,14,16H,12-13H2,1-3H3,(H,23,28)(H,24,27)/t16-/m0/s1
InChIKeyMKCRMGWGEXFGTN-INIZCTEOSA-N
MW379.46 g/mol
LogP3.12
Rot. Bonds5

About (3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 29449322) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID29449322
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)NC(C)C)CC1=O
InChIInChI=1S/C22H25N3O3/c1-14(2)23-22(28)17-9-5-6-10-18(17)24-21(27)16-12-20(26)25(13-16)19-11-7-4-8-15(19)3/h4-11,14,16H,12-13H2,1-3H3,(H,23,28)(H,24,27)/t16-/m0/s1
InChIKeyMKCRMGWGEXFGTN-INIZCTEOSA-N
XLogP3.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40976145
1-(4-bromo-3-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55673120
1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120224
1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17081472
1-(3-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 46436702
(3S)-N-(2-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351107
(3S)-1-(2-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35544399
(3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 41168785
methyl 2-[[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113186640
5-oxo-1-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 168696074
(3S)-1-(2,5-dimethoxyphenyl)-5-oxo-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 51935649
(3R)-1-(2,5-dimethoxyphenyl)-5-oxo-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 51935647

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 29449322) is (3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is Cc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)NC(C)C)CC1=O.
What is the InChIKey of (3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is MKCRMGWGEXFGTN-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14(2)23-22(28)17-9-5-6-10-18(17)24-21(27)16-12-20(26)25(13-16)19-11-7-4-8-15(19)3/h4-11,14,16H,12-13H2,1-3H3,(H,23,28)(H,24,27)/t16-/m0/s1.
What are the key properties of (3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 29449322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).