3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide

C17H27N3O — CID 82992166

IUPAC3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide
SMILESCNC(=O)c1ccc(N2CCCC(C(C)C)CC2)c(N)c1
InChIInChI=1S/C17H27N3O/c1-12(2)13-5-4-9-20(10-8-13)16-7-6-14(11-15(16)18)17(21)19-3/h6-7,11-13H,4-5,8-10,18H2,1-3H3,(H,19,21)
InChIKeyKKZUWXHUUFDGDS-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.89
Rot. Bonds3

About 3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide

3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide (PubChem CID 82992166) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide
PubChem CID82992166
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide
SMILESCNC(=O)c1ccc(N2CCCC(C(C)C)CC2)c(N)c1
InChIInChI=1S/C17H27N3O/c1-12(2)13-5-4-9-20(10-8-13)16-7-6-14(11-15(16)18)17(21)19-3/h6-7,11-13H,4-5,8-10,18H2,1-3H3,(H,19,21)
InChIKeyKKZUWXHUUFDGDS-UHFFFAOYSA-N
XLogP2.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)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

3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide
CID 100632231
3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
CID 82989332
4-amino-3-(azocan-1-yl)-N-methylbenzamide
CID 63356679
3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82999420
3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide
CID 83000296
3-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577
3-amino-N-methyl-4-(2-methylmorpholin-4-yl)benzamide
CID 82989034
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505066
3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide
CID 82989134
3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide
CID 82992411
4,5-dimethoxy-2-(4-propan-2-ylazepan-1-yl)aniline
CID 83004848
3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide
CID 102742783

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide?
The IUPAC name of 3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide (CID 82992166) is 3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide?
The canonical SMILES for 3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide is CNC(=O)c1ccc(N2CCCC(C(C)C)CC2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide?
The InChIKey is KKZUWXHUUFDGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)13-5-4-9-20(10-8-13)16-7-6-14(11-15(16)18)17(21)19-3/h6-7,11-13H,4-5,8-10,18H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide?
3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide is sourced from PubChem (CID 82992166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).