2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide

C14H22N2O2 — CID 108516736

IUPAC2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)C(=O)N1CCCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-9-15(10-4-2)13(17)14(18)16-11-7-5-6-8-12-16/h3-4H,1-2,5-12H2
InChIKeyQIVMJIVCCZJIBK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.59
Rot. Bonds4

About 2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide

2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide (PubChem CID 108516736) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide
PubChem CID108516736
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)C(=O)N1CCCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-9-15(10-4-2)13(17)14(18)16-11-7-5-6-8-12-16/h3-4H,1-2,5-12H2
InChIKeyQIVMJIVCCZJIBK-UHFFFAOYSA-N
XLogP1.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-butyl-N,N',N'-tris(prop-2-enyl)oxamide
CID 157777811
1-(Azepan-1-yl)-2-(prop-2-enylamino)ethanone
CID 28563510
2-(azepan-1-yl)-N-prop-2-enylacetamide
CID 52140292
2-(4-ethyl-1,4-diazepan-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 53593995
2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 54814733
1-(Azepan-1-yl)-2-[bis(prop-2-enyl)amino]ethanone
CID 54817920
1-[2-(Azepan-1-yl)-2-oxoethyl]pyridazin-1-ium-3,6-dione
CID 71628690
2-[[2-(Azepan-1-yl)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276860
N-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79277769
2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide
CID 84571240
N-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide
CID 84573163
2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide
CID 84573284

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide (CID 108516736) is 2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)C(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is QIVMJIVCCZJIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-9-15(10-4-2)13(17)14(18)16-11-7-5-6-8-12-16/h3-4H,1-2,5-12H2.
What are the key properties of 2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide?
2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-oxo-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 108516736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).