N-[5-(azepane-1-carbonyl)furan-2-yl]acetamide

C13H18N2O3 — CID 53016004

IUPACN-[5-(azepane-1-carbonyl)furan-2-yl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCCCC2)o1
InChIInChI=1S/C13H18N2O3/c1-10(16)14-12-7-6-11(18-12)13(17)15-8-4-2-3-5-9-15/h6-7H,2-5,8-9H2,1H3,(H,14,16)
InChIKeyYIMDOUJKXVJLDJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.25
Rot. Bonds2

About N-[5-(azepane-1-carbonyl)furan-2-yl]acetamide

N-[5-(azepane-1-carbonyl)furan-2-yl]acetamide (PubChem CID 53016004) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[5-(azepane-1-carbonyl)furan-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(azepane-1-carbonyl)furan-2-yl]acetamide
PubChem CID53016004
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[5-(azepane-1-carbonyl)furan-2-yl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCCCC2)o1
InChIInChI=1S/C13H18N2O3/c1-10(16)14-12-7-6-11(18-12)13(17)15-8-4-2-3-5-9-15/h6-7H,2-5,8-9H2,1H3,(H,14,16)
InChIKeyYIMDOUJKXVJLDJ-UHFFFAOYSA-N
XLogP2.25
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-(azepane-1-carbonyl)furan-2-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 N-[5-(azepane-1-carbonyl)furan-2-yl]acetamide?
The IUPAC name of N-[5-(azepane-1-carbonyl)furan-2-yl]acetamide (CID 53016004) is N-[5-(azepane-1-carbonyl)furan-2-yl]acetamide.
What is the SMILES notation for N-[5-(azepane-1-carbonyl)furan-2-yl]acetamide?
The canonical SMILES for N-[5-(azepane-1-carbonyl)furan-2-yl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCCCCC2)o1.
What is the InChIKey of N-[5-(azepane-1-carbonyl)furan-2-yl]acetamide?
The InChIKey is YIMDOUJKXVJLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(16)14-12-7-6-11(18-12)13(17)15-8-4-2-3-5-9-15/h6-7H,2-5,8-9H2,1H3,(H,14,16).
What are the key properties of N-[5-(azepane-1-carbonyl)furan-2-yl]acetamide?
N-[5-(azepane-1-carbonyl)furan-2-yl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepane-1-carbonyl)furan-2-yl]acetamide is sourced from PubChem (CID 53016004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).