2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide

C20H23N3O2 — CID 3221296

IUPAC2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCCN2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-9-11-16(12-10-15)14-21-19(24)18-8-5-13-23(18)20(25)22-17-6-3-2-4-7-17/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyIDOPQIYBWXTYON-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.31
Rot. Bonds4

About 2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide

2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 3221296) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID3221296
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(CNC(=O)C2CCCN2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-9-11-16(12-10-15)14-21-19(24)18-8-5-13-23(18)20(25)22-17-6-3-2-4-7-17/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyIDOPQIYBWXTYON-UHFFFAOYSA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(p-fluorophenyl)butyl)-1-phenyl-
CID 120580
8-(Diphenylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 15541261
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-phenylurea
CID 24768227
(S)-1-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)-3-m-tolylthiourea
CID 25138134
1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 4916632
2-(2,5-dioxoimidazolidin-1-yl)-N-(p-tolyl)acetamide
CID 2162395
8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 70419
3-Phenyl-5-(phenylmethyl)-2-thioxo-4-imidazolidinone
CID 2871911
1,3,5-Triphenylimidazolidine-2,4-dione
CID 11609579
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 23646334

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 3221296) is 2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is Cc1ccc(CNC(=O)C2CCCN2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is IDOPQIYBWXTYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-9-11-16(12-10-15)14-21-19(24)18-8-5-13-23(18)20(25)22-17-6-3-2-4-7-17/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3221296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).