N-[2-(2-oxoazepan-1-yl)ethyl]acetamide

C10H18N2O2 — CID 12533799

IUPACN-[2-(2-oxoazepan-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C10H18N2O2/c1-9(13)11-6-8-12-7-4-2-3-5-10(12)14/h2-8H2,1H3,(H,11,13)
InChIKeyWWAHGJZFYWRTHG-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.53
Rot. Bonds3

About N-[2-(2-oxoazepan-1-yl)ethyl]acetamide

N-[2-(2-oxoazepan-1-yl)ethyl]acetamide (PubChem CID 12533799) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[2-(2-oxoazepan-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-oxoazepan-1-yl)ethyl]acetamide
PubChem CID12533799
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[2-(2-oxoazepan-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C10H18N2O2/c1-9(13)11-6-8-12-7-4-2-3-5-10(12)14/h2-8H2,1H3,(H,11,13)
InChIKeyWWAHGJZFYWRTHG-UHFFFAOYSA-N
XLogP0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]acetamide (CID 12533799) is N-[2-(2-oxoazepan-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-oxoazepan-1-yl)ethyl]acetamide is CC(=O)NCCN1CCCCCC1=O.
What is the InChIKey of N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
The InChIKey is WWAHGJZFYWRTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(13)11-6-8-12-7-4-2-3-5-10(12)14/h2-8H2,1H3,(H,11,13).
What are the key properties of N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
N-[2-(2-oxoazepan-1-yl)ethyl]acetamide has a molecular weight of 198.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxoazepan-1-yl)ethyl]acetamide is sourced from PubChem (CID 12533799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).