N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide

C20H23N3O2 — CID 146132314

IUPACN-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C2CCN(C(=O)Nc3cc(C(N)=O)ccc3C)C2)cc1
InChIInChI=1S/C20H23N3O2/c1-13-3-6-15(7-4-13)17-9-10-23(12-17)20(25)22-18-11-16(19(21)24)8-5-14(18)2/h3-8,11,17H,9-10,12H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyXNBIUYYADOXURX-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.42
Rot. Bonds3

About N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide

N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 146132314) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID146132314
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C2CCN(C(=O)Nc3cc(C(N)=O)ccc3C)C2)cc1
InChIInChI=1S/C20H23N3O2/c1-13-3-6-15(7-4-13)17-9-10-23(12-17)20(25)22-18-11-16(19(21)24)8-5-14(18)2/h3-8,11,17H,9-10,12H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyXNBIUYYADOXURX-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 124606170
N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118788092
(4aS,8aR)-N-(2,5-dimethylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51943981
4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide
CID 167987352
cis-(1S,2R)-N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-hydroxycyclohexane-1-carboxamide
CID 89272768
N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide
CID 74244825
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
1-[(5-methoxycarbonyl-2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074107
(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 94161618
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
3-[1-[(4-carbamoyl-2-methylphenyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 146096658

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide (CID 146132314) is N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(C2CCN(C(=O)Nc3cc(C(N)=O)ccc3C)C2)cc1.
What is the InChIKey of N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is XNBIUYYADOXURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-3-6-15(7-4-13)17-9-10-23(12-17)20(25)22-18-11-16(19(21)24)8-5-14(18)2/h3-8,11,17H,9-10,12H2,1-2H3,(H2,21,24)(H,22,25).
What are the key properties of N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide?
N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 146132314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).