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

C12H18ClN3O2 — CID 119523948

IUPAC3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-12(2,7-13)15-11(17)9-5-3-4-8(6-9)10(14)16;/h3-6H,7,13H2,1-2H3,(H2,14,16)(H,15,17);1H
InChIKeyFDWQFTYYPRTAKM-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.67
Rot. Bonds4

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

3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride (PubChem CID 119523948) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
PubChem CID119523948
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-12(2,7-13)15-11(17)9-5-3-4-8(6-9)10(14)16;/h3-6H,7,13H2,1-2H3,(H2,14,16)(H,15,17);1H
InChIKeyFDWQFTYYPRTAKM-UHFFFAOYSA-N
XLogP0.67
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119523789
1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
CID 119522644
N-(1-amino-2-methylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
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N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
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N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119524675
3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide
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CID 104579484
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
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CID 130650761
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CID 63194016
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride (CID 119523948) is 3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride is CC(C)(CN)NC(=O)c1cccc(C(N)=O)c1.Cl.
What is the InChIKey of 3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride?
The InChIKey is FDWQFTYYPRTAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-12(2,7-13)15-11(17)9-5-3-4-8(6-9)10(14)16;/h3-6H,7,13H2,1-2H3,(H2,14,16)(H,15,17);1H.
What are the key properties of 3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride?
3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119523948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).