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

C18H25N3O2 — CID 3230191

IUPAC2-N-cyclopentyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC2C(=O)NC2CCCC2)c1
InChIInChI=1S/C18H25N3O2/c1-13-6-4-9-15(12-13)20-18(23)21-11-5-10-16(21)17(22)19-14-7-2-3-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyBDZDSDRDHZHQGU-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.05
Rot. Bonds3

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

2-N-cyclopentyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230191) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-N-cyclopentyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopentyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230191
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-N-cyclopentyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC2C(=O)NC2CCCC2)c1
InChIInChI=1S/C18H25N3O2/c1-13-6-4-9-15(12-13)20-18(23)21-11-5-10-16(21)17(22)19-14-7-2-3-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyBDZDSDRDHZHQGU-UHFFFAOYSA-N
XLogP3.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-cyclopentyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 3230191) is 2-N-cyclopentyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cyclopentyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-cyclopentyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide is Cc1cccc(NC(=O)N2CCCC2C(=O)NC2CCCC2)c1.
What is the InChIKey of 2-N-cyclopentyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is BDZDSDRDHZHQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-6-4-9-15(12-13)20-18(23)21-11-5-10-16(21)17(22)19-14-7-2-3-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-N-cyclopentyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-cyclopentyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).