5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide

C16H25N3O2 — CID 100651536

IUPAC5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(N)ccc1N1CCCCCC1
InChIInChI=1S/C16H25N3O2/c1-21-11-8-18-16(20)14-12-13(17)6-7-15(14)19-9-4-2-3-5-10-19/h6-7,12H,2-5,8-11,17H2,1H3,(H,18,20)
InChIKeyNHNKQJPDLYEWMW-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.03
Rot. Bonds5

About 5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide

5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide (PubChem CID 100651536) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide
PubChem CID100651536
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(N)ccc1N1CCCCCC1
InChIInChI=1S/C16H25N3O2/c1-21-11-8-18-16(20)14-12-13(17)6-7-15(14)19-9-4-2-3-5-10-19/h6-7,12H,2-5,8-11,17H2,1H3,(H,18,20)
InChIKeyNHNKQJPDLYEWMW-UHFFFAOYSA-N
XLogP2.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide 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

5-amino-N-ethyl-2-piperidin-1-ylbenzamide
CID 100651237
5-amino-2-(azepan-1-yl)-N-methylbenzamide
CID 100651466
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 3588490
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 4242222
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756347
5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 3349119
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4672722
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
ethyl 4-[[3-(2-methoxyethylcarbamoyl)-4-piperidin-1-ylphenyl]carbamoylamino]benzoate
CID 4551645
5-(decanoylamino)-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4643650
5-amino-2-morpholin-4-yl-N-propylbenzamide
CID 100651619
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756351

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide (CID 100651536) is 5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cc(N)ccc1N1CCCCCC1.
What is the InChIKey of 5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide?
The InChIKey is NHNKQJPDLYEWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-11-8-18-16(20)14-12-13(17)6-7-15(14)19-9-4-2-3-5-10-19/h6-7,12H,2-5,8-11,17H2,1H3,(H,18,20).
What are the key properties of 5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide?
5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide has a molecular weight of 291.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 100651536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).