3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride

C14H22ClN3O2 — CID 119667555

IUPAC3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-2-3-7-12(9-15)17-14(19)11-6-4-5-10(8-11)13(16)18;/h4-6,8,12H,2-3,7,9,15H2,1H3,(H2,16,18)(H,17,19);1H
InChIKeyOYDYWARENHHZJP-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.45
Rot. Bonds7

About 3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride

3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride (PubChem CID 119667555) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
PubChem CID119667555
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-2-3-7-12(9-15)17-14(19)11-6-4-5-10(8-11)13(16)18;/h4-6,8,12H,2-3,7,9,15H2,1H3,(H2,16,18)(H,17,19);1H
InChIKeyOYDYWARENHHZJP-UHFFFAOYSA-N
XLogP1.45
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride 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-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
3-N-(1-aminobutan-2-yl)benzene-1,3-dicarboxamide
CID 65193984
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
N-(1-aminohexan-2-yl)-3-nitrobenzamide
CID 80698081
N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119668693
N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119667522
N-(1-aminohexan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119261378
N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119667025
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride (CID 119667555) is 3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride is CCCCC(CN)NC(=O)c1cccc(C(N)=O)c1.Cl.
What is the InChIKey of 3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride?
The InChIKey is OYDYWARENHHZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-2-3-7-12(9-15)17-14(19)11-6-4-5-10(8-11)13(16)18;/h4-6,8,12H,2-3,7,9,15H2,1H3,(H2,16,18)(H,17,19);1H.
What are the key properties of 3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride?
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119667555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).