N-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide

C18H26N2O — CID 3237691

IUPACN-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C18H26N2O/c21-18(19-16-11-5-2-6-12-16)17(20-13-7-8-14-20)15-9-3-1-4-10-15/h1,3-4,9-10,16-17H,2,5-8,11-14H2,(H,19,21)
InChIKeyXJWZGXCCJPHVJB-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.27
Rot. Bonds4

About N-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide

N-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide (PubChem CID 3237691) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide
PubChem CID3237691
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C18H26N2O/c21-18(19-16-11-5-2-6-12-16)17(20-13-7-8-14-20)15-9-3-1-4-10-15/h1,3-4,9-10,16-17H,2,5-8,11-14H2,(H,19,21)
InChIKeyXJWZGXCCJPHVJB-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide (CID 3237691) is N-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide is O=C(NC1CCCCC1)C(c1ccccc1)N1CCCC1.
What is the InChIKey of N-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is XJWZGXCCJPHVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(19-16-11-5-2-6-12-16)17(20-13-7-8-14-20)15-9-3-1-4-10-15/h1,3-4,9-10,16-17H,2,5-8,11-14H2,(H,19,21).
What are the key properties of N-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide?
N-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 286.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-phenyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 3237691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).