1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide

C19H21N3O2 — CID 3230199

IUPAC1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H21N3O2/c1-14-7-5-10-16(13-14)21-19(24)22-12-6-11-17(22)18(23)20-15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyPVDPSJWZLMLPRD-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.63
Rot. Bonds3

About 1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide

1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 3230199) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID3230199
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H21N3O2/c1-14-7-5-10-16(13-14)21-19(24)22-12-6-11-17(22)18(23)20-15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyPVDPSJWZLMLPRD-UHFFFAOYSA-N
XLogP3.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide (CID 3230199) is 1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide is Cc1cccc(NC(=O)N2CCCC2C(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is PVDPSJWZLMLPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-7-5-10-16(13-14)21-19(24)22-12-6-11-17(22)18(23)20-15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide?
1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).