2-N-benzyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide

C20H23N3O2 — CID 3230192

IUPAC2-N-benzyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H23N3O2/c1-15-7-5-10-17(13-15)22-20(25)23-12-6-11-18(23)19(24)21-14-16-8-3-2-4-9-16/h2-5,7-10,13,18H,6,11-12,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyBHNLRPIHMOYYIW-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.31
Rot. Bonds4

About 2-N-benzyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide

2-N-benzyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230192) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-N-benzyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230192
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-N-benzyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H23N3O2/c1-15-7-5-10-17(13-15)22-20(25)23-12-6-11-18(23)19(24)21-14-16-8-3-2-4-9-16/h2-5,7-10,13,18H,6,11-12,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyBHNLRPIHMOYYIW-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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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-benzyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 3230192) is 2-N-benzyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-benzyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide is Cc1cccc(NC(=O)N2CCCC2C(=O)NCc2ccccc2)c1.
What is the InChIKey of 2-N-benzyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is BHNLRPIHMOYYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-7-5-10-17(13-15)22-20(25)23-12-6-11-18(23)19(24)21-14-16-8-3-2-4-9-16/h2-5,7-10,13,18H,6,11-12,14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-N-benzyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-benzyl-1-N-(3-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 2-N-benzyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).