3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide

C12H17N3O2 — CID 81482947

IUPAC3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide
SMILESCC(C)(N)CNC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-12(2,14)7-15-11(17)9-5-3-4-8(6-9)10(13)16/h3-6H,7,14H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyQRBLOPRYPQDGEG-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.25
Rot. Bonds4

About 3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide

3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide (PubChem CID 81482947) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide
PubChem CID81482947
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide
SMILESCC(C)(N)CNC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-12(2,14)7-15-11(17)9-5-3-4-8(6-9)10(13)16/h3-6H,7,14H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyQRBLOPRYPQDGEG-UHFFFAOYSA-N
XLogP0.25
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119630742
1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 119630681
N-(2-amino-2-methylpropyl)-3-iodobenzamide
CID 81482556
3-carbamothioyl-N-(2,2-dimethylpropyl)benzamide
CID 61167657
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119523948
4-[(3-carbamoylbenzoyl)amino]-2-methylbutanoic acid
CID 80540452
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119630093
methyl 3-[(3-carbamoylbenzoyl)amino]propanoate
CID 47159745
3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide
CID 104593481

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide (CID 81482947) is 3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide is CC(C)(N)CNC(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide?
The InChIKey is QRBLOPRYPQDGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2,14)7-15-11(17)9-5-3-4-8(6-9)10(13)16/h3-6H,7,14H2,1-2H3,(H2,13,16)(H,15,17).
What are the key properties of 3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide?
3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 81482947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).