3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide

C13H19N3O2 — CID 65191392

IUPAC3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide
SMILESCC(C)C(CN)NC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C13H19N3O2/c1-8(2)11(7-14)16-13(18)10-5-3-4-9(6-10)12(15)17/h3-6,8,11H,7,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyHXIQCQUNUXEXFK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.50
Rot. Bonds5

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

3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide (PubChem CID 65191392) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide
PubChem CID65191392
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide
SMILESCC(C)C(CN)NC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C13H19N3O2/c1-8(2)11(7-14)16-13(18)10-5-3-4-9(6-10)12(15)17/h3-6,8,11H,7,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyHXIQCQUNUXEXFK-UHFFFAOYSA-N
XLogP0.50
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide
CID 65191606
N-(1-amino-3-methylbutan-2-yl)benzamide
CID 65191008
3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
CID 30827773
N-(1-amino-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 65191332
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
2-[(3-carbamoylbenzoyl)amino]-3-methylbutanoic acid
CID 60859011
methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate
CID 113257904
(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
CID 78975452
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide
CID 65191559
2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
CID 60858023

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide (CID 65191392) is 3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide is CC(C)C(CN)NC(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide?
The InChIKey is HXIQCQUNUXEXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)11(7-14)16-13(18)10-5-3-4-9(6-10)12(15)17/h3-6,8,11H,7,14H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide?
3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 65191392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).