N-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide

C11H19N3O2 — CID 79285861

IUPACN-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCCCNC1=O
InChIInChI=1S/C11H19N3O2/c1-2-6-12-8-10(15)14-9-5-3-4-7-13-11(9)16/h2,9,12H,1,3-8H2,(H,13,16)(H,14,15)
InChIKeyWKFPELMCBAXUKG-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.45
Rot. Bonds5

About N-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide

N-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 79285861) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide
PubChem CID79285861
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCCCNC1=O
InChIInChI=1S/C11H19N3O2/c1-2-6-12-8-10(15)14-9-5-3-4-7-13-11(9)16/h2,9,12H,1,3-8H2,(H,13,16)(H,14,15)
InChIKeyWKFPELMCBAXUKG-UHFFFAOYSA-N
XLogP-0.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)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-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide (CID 79285861) is N-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC1CCCCNC1=O.
What is the InChIKey of N-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is WKFPELMCBAXUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-6-12-8-10(15)14-9-5-3-4-7-13-11(9)16/h2,9,12H,1,3-8H2,(H,13,16)(H,14,15).
What are the key properties of N-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide?
N-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 225.29 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).