3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride

C14H22ClN3O2 — CID 119587745

IUPAC3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-9(2)6-12(8-15)17-14(19)11-5-3-4-10(7-11)13(16)18;/h3-5,7,9,12H,6,8,15H2,1-2H3,(H2,16,18)(H,17,19);1H
InChIKeyCAIXECBEXGJZPD-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.31
Rot. Bonds6

About 3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride

3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride (PubChem CID 119587745) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
PubChem CID119587745
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-9(2)6-12(8-15)17-14(19)11-5-3-4-10(7-11)13(16)18;/h3-5,7,9,12H,6,8,15H2,1-2H3,(H2,16,18)(H,17,19);1H
InChIKeyCAIXECBEXGJZPD-UHFFFAOYSA-N
XLogP1.31
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(1-aminobutan-2-yl)benzene-1,3-dicarboxamide
CID 65193984
3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119585729
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
CID 78975452
N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119587994
3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide
CID 65191392
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(1-amino-4-methylpentan-2-yl)-3-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 119588133
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide
CID 119588727
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-amino-4-methylpentan-2-yl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide;hydrochloride
CID 119587264

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride (CID 119587745) is 3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride is CC(C)CC(CN)NC(=O)c1cccc(C(N)=O)c1.Cl.
What is the InChIKey of 3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride?
The InChIKey is CAIXECBEXGJZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-9(2)6-12(8-15)17-14(19)11-5-3-4-10(7-11)13(16)18;/h3-5,7,9,12H,6,8,15H2,1-2H3,(H2,16,18)(H,17,19);1H.
What are the key properties of 3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride?
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119587745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).