N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide

C20H23N3O2 — CID 50949083

IUPACN-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ccccc2NC(=O)C2CCNC2)c1
InChIInChI=1S/C20H23N3O2/c1-14-5-4-6-15(11-14)12-22-20(25)17-7-2-3-8-18(17)23-19(24)16-9-10-21-13-16/h2-8,11,16,21H,9-10,12-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyUJVUXENRXKMGGT-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.47
Rot. Bonds5

About N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide

N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 50949083) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
PubChem CID50949083
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ccccc2NC(=O)C2CCNC2)c1
InChIInChI=1S/C20H23N3O2/c1-14-5-4-6-15(11-14)12-22-20(25)17-7-2-3-8-18(17)23-19(24)16-9-10-21-13-16/h2-8,11,16,21H,9-10,12-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyUJVUXENRXKMGGT-UHFFFAOYSA-N
XLogP2.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 95119935
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679402
N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63006645
N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119767534
(2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 154889286
N-[2-(ethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119284316
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
2-[(2-cyanoacetyl)amino]-N-[(3-methylphenyl)methyl]benzamide
CID 168520890
N-[2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 18071955
N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide
CID 63107843
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50950015

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide (CID 50949083) is N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide is Cc1cccc(CNC(=O)c2ccccc2NC(=O)C2CCNC2)c1.
What is the InChIKey of N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is UJVUXENRXKMGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-5-4-6-15(11-14)12-22-20(25)17-7-2-3-8-18(17)23-19(24)16-9-10-21-13-16/h2-8,11,16,21H,9-10,12-13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide?
N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 50949083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).