2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide

C17H26N2O3 — CID 54814562

IUPAC2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1ccc(NC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-21-12-13-22-16-8-6-15(7-9-16)18-17(20)14-19-10-4-2-3-5-11-19/h6-9H,2-5,10-14H2,1H3,(H,18,20)
InChIKeyKFQRGSMFRBCHCT-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.53
Rot. Bonds7

About 2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide

2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide (PubChem CID 54814562) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide
PubChem CID54814562
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1ccc(NC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-21-12-13-22-16-8-6-15(7-9-16)18-17(20)14-19-10-4-2-3-5-11-19/h6-9H,2-5,10-14H2,1H3,(H,18,20)
InChIKeyKFQRGSMFRBCHCT-UHFFFAOYSA-N
XLogP2.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]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-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide
CID 54814498
2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54814501
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
CID 558416
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318
methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate
CID 28638031
2-(cyclohexylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54816663

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide (CID 54814562) is 2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide is COCCOc1ccc(NC(=O)CN2CCCCCC2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
The InChIKey is KFQRGSMFRBCHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-12-13-22-16-8-6-15(7-9-16)18-17(20)14-19-10-4-2-3-5-11-19/h6-9H,2-5,10-14H2,1H3,(H,18,20).
What are the key properties of 2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54814562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).