N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide

C20H23N3O2 — CID 154860890

IUPACN-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(c3ccccc3)CC2C)cc1C(N)=O
InChIInChI=1S/C20H23N3O2/c1-13-8-9-17(11-18(13)19(21)24)22-20(25)23-12-16(10-14(23)2)15-6-4-3-5-7-15/h3-9,11,14,16H,10,12H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyYSVFOPVMOQNRGS-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.50
Rot. Bonds3

About N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide

N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide (PubChem CID 154860890) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide
PubChem CID154860890
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(c3ccccc3)CC2C)cc1C(N)=O
InChIInChI=1S/C20H23N3O2/c1-13-8-9-17(11-18(13)19(21)24)22-20(25)23-12-16(10-14(23)2)15-6-4-3-5-7-15/h3-9,11,14,16H,10,12H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyYSVFOPVMOQNRGS-UHFFFAOYSA-N
XLogP3.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 86799701
(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide
CID 101423033
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 63654758
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 133471310
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 106670762
N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide
CID 119046286
N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide
CID 46069404
2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63652481
1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106742320
N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide
CID 110369345

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide (CID 154860890) is N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CC(c3ccccc3)CC2C)cc1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide?
The InChIKey is YSVFOPVMOQNRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-8-9-17(11-18(13)19(21)24)22-20(25)23-12-16(10-14(23)2)15-6-4-3-5-7-15/h3-9,11,14,16H,10,12H2,1-2H3,(H2,21,24)(H,22,25).
What are the key properties of N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide?
N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 154860890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).