2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide

C15H17N3O2 — CID 107733294

IUPAC2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide
SMILESCCN(C(=O)c1ccc(N)cc1N)c1cccc(O)c1
InChIInChI=1S/C15H17N3O2/c1-2-18(11-4-3-5-12(19)9-11)15(20)13-7-6-10(16)8-14(13)17/h3-9,19H,2,16-17H2,1H3
InChIKeyUUPAUXYDQGCOLG-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.22
Rot. Bonds3

About 2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide

2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide (PubChem CID 107733294) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide
PubChem CID107733294
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide
SMILESCCN(C(=O)c1ccc(N)cc1N)c1cccc(O)c1
InChIInChI=1S/C15H17N3O2/c1-2-18(11-4-3-5-12(19)9-11)15(20)13-7-6-10(16)8-14(13)17/h3-9,19H,2,16-17H2,1H3
InChIKeyUUPAUXYDQGCOLG-UHFFFAOYSA-N
XLogP2.22
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107735686
N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide
CID 107721468
2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 107733285
2,5-dichloro-N-ethyl-N-(3-hydroxyphenyl)benzamide
CID 107736182
N-ethyl-N-(3-hydroxyphenyl)-4-methylthiophene-3-carboxamide
CID 107736404
2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide
CID 107736178
4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide
CID 107733315
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
2-(5-amino-2-pyridinyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107735033
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide
CID 107937517
4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 107733259

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide?
The IUPAC name of 2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide (CID 107733294) is 2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide?
The canonical SMILES for 2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide is CCN(C(=O)c1ccc(N)cc1N)c1cccc(O)c1.
What is the InChIKey of 2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide?
The InChIKey is UUPAUXYDQGCOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-18(11-4-3-5-12(19)9-11)15(20)13-7-6-10(16)8-14(13)17/h3-9,19H,2,16-17H2,1H3.
What are the key properties of 2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide?
2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide has a molecular weight of 271.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 107733294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).