N-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide

C13H25N3O — CID 79277769

IUPACN-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCCN1CCCCCC1
InChIInChI=1S/C13H25N3O/c1-2-7-14-12-13(17)15-8-11-16-9-5-3-4-6-10-16/h2,14H,1,3-12H2,(H,15,17)
InChIKeyOAHTWDDNAFANCG-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.75
Rot. Bonds7

About N-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide

N-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79277769) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide
PubChem CID79277769
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCCN1CCCCCC1
InChIInChI=1S/C13H25N3O/c1-2-7-14-12-13(17)15-8-11-16-9-5-3-4-6-10-16/h2,14H,1,3-12H2,(H,15,17)
InChIKeyOAHTWDDNAFANCG-UHFFFAOYSA-N
XLogP0.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide (CID 79277769) is N-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is OAHTWDDNAFANCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-7-14-12-13(17)15-8-11-16-9-5-3-4-6-10-16/h2,14H,1,3-12H2,(H,15,17).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide?
N-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79277769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).