3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide

C16H19N3O2 — CID 61114053

IUPAC3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C16H19N3O2/c1-10(14-5-3-4-6-15(14)20)19(2)16(21)11-7-12(17)9-13(18)8-11/h3-10,20H,17-18H2,1-2H3
InChIKeyGPPWJNUFOKBEQG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.39
Rot. Bonds3

About 3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide

3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 61114053) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
PubChem CID61114053
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C16H19N3O2/c1-10(14-5-3-4-6-15(14)20)19(2)16(21)11-7-12(17)9-13(18)8-11/h3-10,20H,17-18H2,1-2H3
InChIKeyGPPWJNUFOKBEQG-UHFFFAOYSA-N
XLogP2.39
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide 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

4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61116700
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60939433
3,5-diamino-N-methyl-N-propan-2-ylbenzamide
CID 61089982
3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide
CID 103867275
5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide
CID 61113866
4-(chloromethyl)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 60949375
3-cyano-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043345
2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 103867282
3,5-diamino-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 61111115
5,6-dichloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 61052151
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide
CID 107074457

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide (CID 61114053) is 3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide is CC(c1ccccc1O)N(C)C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is GPPWJNUFOKBEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(14-5-3-4-6-15(14)20)19(2)16(21)11-7-12(17)9-13(18)8-11/h3-10,20H,17-18H2,1-2H3.
What are the key properties of 3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 61114053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).