3,5-diamino-N-(2-propan-2-ylphenyl)benzamide

C16H19N3O — CID 61092144

IUPAC3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C16H19N3O/c1-10(2)14-5-3-4-6-15(14)19-16(20)11-7-12(17)9-13(18)8-11/h3-10H,17-18H2,1-2H3,(H,19,20)
InChIKeyLWZXHNITIAZZDK-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.23
Rot. Bonds3

About 3,5-diamino-N-(2-propan-2-ylphenyl)benzamide

3,5-diamino-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 61092144) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3,5-diamino-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
PubChem CID61092144
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C16H19N3O/c1-10(2)14-5-3-4-6-15(14)19-16(20)11-7-12(17)9-13(18)8-11/h3-10H,17-18H2,1-2H3,(H,19,20)
InChIKeyLWZXHNITIAZZDK-UHFFFAOYSA-N
XLogP3.23
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-propan-2-ylphenyl)benzamide
CID 723391
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696
3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 104851756
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 43642811
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
4-(methylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 62185459
4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042975
5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 91683062
3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 62592259

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 3,5-diamino-N-(2-propan-2-ylphenyl)benzamide (CID 61092144) is 3,5-diamino-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is LWZXHNITIAZZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10(2)14-5-3-4-6-15(14)19-16(20)11-7-12(17)9-13(18)8-11/h3-10H,17-18H2,1-2H3,(H,19,20).
What are the key properties of 3,5-diamino-N-(2-propan-2-ylphenyl)benzamide?
3,5-diamino-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 269.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 61092144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).