N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide

C21H30N2O2 — CID 71890310

IUPACN-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C1CCCCCN1CC(=O)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C21H30N2O2/c24-20-14-8-3-9-15-22(20)17-21(25)23(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18/h1,4-5,10-11,19H,2-3,6-9,12-17H2
InChIKeyJXBHWCZZHOIHDI-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.75
Rot. Bonds5

About N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide

N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 71890310) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
PubChem CID71890310
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C1CCCCCN1CC(=O)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C21H30N2O2/c24-20-14-8-3-9-15-22(20)17-21(25)23(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18/h1,4-5,10-11,19H,2-3,6-9,12-17H2
InChIKeyJXBHWCZZHOIHDI-UHFFFAOYSA-N
XLogP3.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide (CID 71890310) is N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide is O=C1CCCCCN1CC(=O)N(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is JXBHWCZZHOIHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20-14-8-3-9-15-22(20)17-21(25)23(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18/h1,4-5,10-11,19H,2-3,6-9,12-17H2.
What are the key properties of N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide?
N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 342.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 71890310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).