2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide

C12H21N3O2 — CID 27131769

IUPAC2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCCCCC1
InChIInChI=1S/C12H21N3O2/c1-2-7-13-12(17)14-11(16)10-15-8-5-3-4-6-9-15/h2H,1,3-10H2,(H2,13,14,16,17)
InChIKeyUZALULOFDAHESK-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.87
Rot. Bonds4

About 2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide

2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 27131769) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID27131769
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCCCCC1
InChIInChI=1S/C12H21N3O2/c1-2-7-13-12(17)14-11(16)10-15-8-5-3-4-6-9-15/h2H,1,3-10H2,(H2,13,14,16,17)
InChIKeyUZALULOFDAHESK-UHFFFAOYSA-N
XLogP0.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)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

2-piperidin-1-yl-N-(prop-2-enylcarbamoyl)acetamide
CID 27131383
3-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanoic acid
CID 43522344
2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 51170634
2-[4-[2-(ethylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 30967520
N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide
CID 37193198
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 63595189
2-[2-(hydroxymethyl)azepan-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 116637853
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 87022015
3-(azepan-1-yl)-N-prop-2-enylpropanamide
CID 109011875
N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide
CID 43037834
2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride
CID 119916141
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 62014153

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide (CID 27131769) is 2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is UZALULOFDAHESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-7-13-12(17)14-11(16)10-15-8-5-3-4-6-9-15/h2H,1,3-10H2,(H2,13,14,16,17).
What are the key properties of 2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 27131769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).