1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide

C18H24N2O2 — CID 4811381

IUPAC1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H24N2O2/c21-17-11-15(18(22)19-16-9-5-2-6-10-16)13-20(17)12-14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,19,22)
InChIKeyZHQRGPWWPCMQDL-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.48
Rot. Bonds4

About 1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 4811381) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID4811381
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H24N2O2/c21-17-11-15(18(22)19-16-9-5-2-6-10-16)13-20(17)12-14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,19,22)
InChIKeyZHQRGPWWPCMQDL-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 4811381) is 1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCCCC1)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZHQRGPWWPCMQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17-11-15(18(22)19-16-9-5-2-6-10-16)13-20(17)12-14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,19,22).
What are the key properties of 1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4811381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).