2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide

C14H23N3O2 — CID 60500402

IUPAC2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide
SMILESC=CCN(CC=C)CC(=O)NC1CCCCNC1=O
InChIInChI=1S/C14H23N3O2/c1-3-9-17(10-4-2)11-13(18)16-12-7-5-6-8-15-14(12)19/h3-4,12H,1-2,5-11H2,(H,15,19)(H,16,18)
InChIKeyAGOVBAWYERFRJK-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.45
Rot. Bonds7

About 2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide

2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide (PubChem CID 60500402) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide
PubChem CID60500402
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide
SMILESC=CCN(CC=C)CC(=O)NC1CCCCNC1=O
InChIInChI=1S/C14H23N3O2/c1-3-9-17(10-4-2)11-13(18)16-12-7-5-6-8-15-14(12)19/h3-4,12H,1-2,5-11H2,(H,15,19)(H,16,18)
InChIKeyAGOVBAWYERFRJK-UHFFFAOYSA-N
XLogP0.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-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 2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide (CID 60500402) is 2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide is C=CCN(CC=C)CC(=O)NC1CCCCNC1=O.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide?
The InChIKey is AGOVBAWYERFRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-9-17(10-4-2)11-13(18)16-12-7-5-6-8-15-14(12)19/h3-4,12H,1-2,5-11H2,(H,15,19)(H,16,18).
What are the key properties of 2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide?
2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-N-(2-oxoazepan-3-yl)acetamide is sourced from PubChem (CID 60500402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).