2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide

C18H27N3O3 — CID 54835172

IUPAC2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C18H27N3O3/c1-24-13-10-19-17(22)14-20-16-8-6-15(7-9-16)18(23)21-11-4-2-3-5-12-21/h6-9,20H,2-5,10-14H2,1H3,(H,19,22)
InChIKeyIREIUQISADNEAM-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.88
Rot. Bonds7

About 2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide

2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide (PubChem CID 54835172) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide
PubChem CID54835172
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C18H27N3O3/c1-24-13-10-19-17(22)14-20-16-8-6-15(7-9-16)18(23)21-11-4-2-3-5-12-21/h6-9,20H,2-5,10-14H2,1H3,(H,19,22)
InChIKeyIREIUQISADNEAM-UHFFFAOYSA-N
XLogP1.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)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-(2-methoxyethyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841382
N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54835788
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54836675
N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834227
N-(3-methoxypropyl)-4-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834129
4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836236
N-hexadecyl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835268
N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836112
N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841477
2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54834873
N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841294
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide (CID 54835172) is 2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of 2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide?
The InChIKey is IREIUQISADNEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-24-13-10-19-17(22)14-20-16-8-6-15(7-9-16)18(23)21-11-4-2-3-5-12-21/h6-9,20H,2-5,10-14H2,1H3,(H,19,22).
What are the key properties of 2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide?
2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 54835172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).