1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

C20H23N3O2 — CID 3219635

IUPAC1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCCN2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-9-11-17(12-10-15)22-19(24)18-8-5-13-23(18)20(25)21-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyFWWPPUFLLWZJTP-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.31
Rot. Bonds4

About 1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3219635) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3219635
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCCN2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-9-11-17(12-10-15)22-19(24)18-8-5-13-23(18)20(25)21-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyFWWPPUFLLWZJTP-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

(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
(2S)-1-N-benzyl-2-N-(3,4-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468769
1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219752
(2R)-2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide
CID 1468785
2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide
CID 649014
1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3219746
(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468506
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
(2R)-2-N-benzyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1441944

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 3219635) is 1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is Cc1ccc(NC(=O)C2CCCN2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of 1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is FWWPPUFLLWZJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-9-11-17(12-10-15)22-19(24)18-8-5-13-23(18)20(25)21-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-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 1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).