3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide

C12H18N4O2 — CID 144909740

IUPAC3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1c(N)cc(C(N)=O)cc1N
InChIInChI=1S/C12H18N4O2/c1-12(2,3)11(18)16-9-7(13)4-6(10(15)17)5-8(9)14/h4-5H,13-14H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyILIJGDWELWEUDH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.93
Rot. Bonds2

About 3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide

3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 144909740) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound Name3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide
PubChem CID144909740
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1c(N)cc(C(N)=O)cc1N
InChIInChI=1S/C12H18N4O2/c1-12(2,3)11(18)16-9-7(13)4-6(10(15)17)5-8(9)14/h4-5H,13-14H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyILIJGDWELWEUDH-UHFFFAOYSA-N
XLogP0.93
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide
CID 89172260
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide
CID 103028794
tert-butyl N-(2-amino-4-carbamoyl-6-methoxyanilino)carbamate
CID 155456522
N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide
CID 60629516
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
5-(2,2-dimethylpropanoylamino)benzene-1,3-dicarboxylic acid
CID 749542
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide
CID 43548135
N-(4-iodo-6-methyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide
CID 10759111
3-amino-4-(ethylamino)benzamide
CID 43448330

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of 3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide (CID 144909740) is 3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for 3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for 3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide is CC(C)(C)C(=O)Nc1c(N)cc(C(N)=O)cc1N.
What is the InChIKey of 3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is ILIJGDWELWEUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,3)11(18)16-9-7(13)4-6(10(15)17)5-8(9)14/h4-5H,13-14H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of 3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide?
3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 250.30 g/mol, XLogP of 0.93, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-4-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 144909740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).