N-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide

C16H28N2O3 — CID 56746514

IUPACN-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCCN(CC1CCOCC1)C(=O)CN1CCCCCC1=O
InChIInChI=1S/C16H28N2O3/c1-2-17(12-14-7-10-21-11-8-14)16(20)13-18-9-5-3-4-6-15(18)19/h14H,2-13H2,1H3
InChIKeyJTNODDDEFWHXDC-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.66
Rot. Bonds5

About N-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide

N-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 56746514) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide
PubChem CID56746514
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCCN(CC1CCOCC1)C(=O)CN1CCCCCC1=O
InChIInChI=1S/C16H28N2O3/c1-2-17(12-14-7-10-21-11-8-14)16(20)13-18-9-5-3-4-6-15(18)19/h14H,2-13H2,1H3
InChIKeyJTNODDDEFWHXDC-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide (CID 56746514) is N-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide is CCN(CC1CCOCC1)C(=O)CN1CCCCCC1=O.
What is the InChIKey of N-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is JTNODDDEFWHXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-17(12-14-7-10-21-11-8-14)16(20)13-18-9-5-3-4-6-15(18)19/h14H,2-13H2,1H3.
What are the key properties of N-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide?
N-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 296.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxan-4-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 56746514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).