3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide

C16H19N3O2 — CID 105057637

IUPAC3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
SMILESCC(CO)(NC(=O)c1cc(N)cc(N)c1)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-16(10-20,12-5-3-2-4-6-12)19-15(21)11-7-13(17)9-14(18)8-11/h2-9,20H,10,17-18H2,1H3,(H,19,21)
InChIKeyXLAQCJZFOFCLDN-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.49
Rot. Bonds4

About 3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide

3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide (PubChem CID 105057637) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
PubChem CID105057637
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
SMILESCC(CO)(NC(=O)c1cc(N)cc(N)c1)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-16(10-20,12-5-3-2-4-6-12)19-15(21)11-7-13(17)9-14(18)8-11/h2-9,20H,10,17-18H2,1H3,(H,19,21)
InChIKeyXLAQCJZFOFCLDN-UHFFFAOYSA-N
XLogP1.49
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057674
5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
CID 105057681
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105058932
3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 107989693
N-(1-bromo-2-phenylpropan-2-yl)-3,5-dimethylbenzamide
CID 105059975
1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea
CID 115635344
3-amino-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058260
2,6-difluoro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105058990
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide
CID 105058953
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide?
The IUPAC name of 3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide (CID 105057637) is 3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide?
The canonical SMILES for 3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide is CC(CO)(NC(=O)c1cc(N)cc(N)c1)c1ccccc1.
What is the InChIKey of 3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide?
The InChIKey is XLAQCJZFOFCLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(10-20,12-5-3-2-4-6-12)19-15(21)11-7-13(17)9-14(18)8-11/h2-9,20H,10,17-18H2,1H3,(H,19,21).
What are the key properties of 3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide?
3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide has a molecular weight of 285.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 105057637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).