N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide

C17H27N3O2 — CID 119892181

IUPACN-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1cccc(N2CCCCCC2)c1
InChIInChI=1S/C17H27N3O2/c1-22-12-9-18-14-17(21)19-15-7-6-8-16(13-15)20-10-4-2-3-5-11-20/h6-8,13,18H,2-5,9-12,14H2,1H3,(H,19,21)
InChIKeyIEBFODBSZUWZPR-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.24
Rot. Bonds7

About N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide

N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 119892181) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide
PubChem CID119892181
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1cccc(N2CCCCCC2)c1
InChIInChI=1S/C17H27N3O2/c1-22-12-9-18-14-17(21)19-15-7-6-8-16(13-15)20-10-4-2-3-5-11-20/h6-8,13,18H,2-5,9-12,14H2,1H3,(H,19,21)
InChIKeyIEBFODBSZUWZPR-UHFFFAOYSA-N
XLogP2.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)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-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707
3-acetamido-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426221
N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 110667684
2-(2-methoxyethylamino)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide;dihydrochloride
CID 119855694

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide (CID 119892181) is N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1cccc(N2CCCCCC2)c1.
What is the InChIKey of N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is IEBFODBSZUWZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-22-12-9-18-14-17(21)19-15-7-6-8-16(13-15)20-10-4-2-3-5-11-20/h6-8,13,18H,2-5,9-12,14H2,1H3,(H,19,21).
What are the key properties of N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide?
N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119892181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).