N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide

C15H16N2O3 — CID 107721468

IUPACN-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide
SMILESCCN(C(=O)c1cc(O)ccc1O)c1cccc(N)c1
InChIInChI=1S/C15H16N2O3/c1-2-17(11-5-3-4-10(16)8-11)15(20)13-9-12(18)6-7-14(13)19/h3-9,18-19H,2,16H2,1H3
InChIKeyVBPPKBYKIOOGHC-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.35
Rot. Bonds3

About N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide

N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide (PubChem CID 107721468) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide
PubChem CID107721468
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide
SMILESCCN(C(=O)c1cc(O)ccc1O)c1cccc(N)c1
InChIInChI=1S/C15H16N2O3/c1-2-17(11-5-3-4-10(16)8-11)15(20)13-9-12(18)6-7-14(13)19/h3-9,18-19H,2,16H2,1H3
InChIKeyVBPPKBYKIOOGHC-UHFFFAOYSA-N
XLogP2.35
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide
CID 107733294
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide
CID 107937517
N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107735686
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381
2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 107733285
N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide
CID 63229751
N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide
CID 63229996
N-(3-aminophenyl)-N-ethyldecanamide
CID 65448348
N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide
CID 63229882
N-(3-aminophenyl)-3-bromo-N-ethyl-4-methylbenzamide
CID 81471443
N-(3-aminophenyl)-4-cyano-N-ethylbenzamide
CID 63229875

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide?
The IUPAC name of N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide (CID 107721468) is N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide?
The canonical SMILES for N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide is CCN(C(=O)c1cc(O)ccc1O)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide?
The InChIKey is VBPPKBYKIOOGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-17(11-5-3-4-10(16)8-11)15(20)13-9-12(18)6-7-14(13)19/h3-9,18-19H,2,16H2,1H3.
What are the key properties of N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide?
N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide has a molecular weight of 272.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide is sourced from PubChem (CID 107721468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).