2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide

C18H25N3O2 — CID 3219761

IUPAC2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NC1CCCCC1)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C18H25N3O2/c22-17(19-14-8-3-1-4-9-14)16-12-7-13-21(16)18(23)20-15-10-5-2-6-11-15/h2,5-6,10-11,14,16H,1,3-4,7-9,12-13H2,(H,19,22)(H,20,23)
InChIKeyQDOSLMMXCOTESQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.13
Rot. Bonds3

About 2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide

2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 3219761) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID3219761
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NC1CCCCC1)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C18H25N3O2/c22-17(19-14-8-3-1-4-9-14)16-12-7-13-21(16)18(23)20-15-10-5-2-6-11-15/h2,5-6,10-11,14,16H,1,3-4,7-9,12-13H2,(H,19,22)(H,20,23)
InChIKeyQDOSLMMXCOTESQ-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 3219761) is 2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(NC1CCCCC1)C1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is QDOSLMMXCOTESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(19-14-8-3-1-4-9-14)16-12-7-13-21(16)18(23)20-15-10-5-2-6-11-15/h2,5-6,10-11,14,16H,1,3-4,7-9,12-13H2,(H,19,22)(H,20,23).
What are the key properties of 2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).