(2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide

C21H23N3O3 — CID 56717984

IUPAC(2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccccc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C21H23N3O3/c1-13-7-9-14(10-8-13)19(25)16-5-3-4-6-17(16)21(27)24-12-15(22)11-18(24)20(26)23-2/h3-10,15,18H,11-12,22H2,1-2H3,(H,23,26)/t15-,18+/m1/s1
InChIKeyLSPUKJHUROSXBY-QAPCUYQASA-N
MW365.43 g/mol
LogP1.51
Rot. Bonds4

About (2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 56717984) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID56717984
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccccc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C21H23N3O3/c1-13-7-9-14(10-8-13)19(25)16-5-3-4-6-17(16)21(27)24-12-15(22)11-18(24)20(26)23-2/h3-10,15,18H,11-12,22H2,1-2H3,(H,23,26)/t15-,18+/m1/s1
InChIKeyLSPUKJHUROSXBY-QAPCUYQASA-N
XLogP1.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 56707392
(2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 56720955
(2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 56748375
(2S,4S)-4-amino-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 56710422
(2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 56701446
(2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 56710407
(2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 56710973
(2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide
CID 56718530
(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
CID 112811380
(2S,4S)-4-amino-1-(1-benzyl-5-methyltriazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 56702860
[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119561443
(2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 56707644

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide (CID 56717984) is (2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccccc1C(=O)c1ccc(C)cc1.
What is the InChIKey of (2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is LSPUKJHUROSXBY-QAPCUYQASA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-7-9-14(10-8-13)19(25)16-5-3-4-6-17(16)21(27)24-12-15(22)11-18(24)20(26)23-2/h3-10,15,18H,11-12,22H2,1-2H3,(H,23,26)/t15-,18+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56717984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).