(E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide

C15H15N3O2 — CID 12067437

IUPAC(E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide
SMILESNc1ccc(NC(=O)/C=C/c2cc(N)ccc2O)cc1
InChIInChI=1S/C15H15N3O2/c16-11-2-5-13(6-3-11)18-15(20)8-1-10-9-12(17)4-7-14(10)19/h1-9,19H,16-17H2,(H,18,20)/b8-1+
InChIKeyZHYITZOAXZCFHO-UNXLUWIOSA-N
MW269.30 g/mol
LogP2.21
Rot. Bonds3

About (E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide

(E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide (PubChem CID 12067437) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide
PubChem CID12067437
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide
SMILESNc1ccc(NC(=O)/C=C/c2cc(N)ccc2O)cc1
InChIInChI=1S/C15H15N3O2/c16-11-2-5-13(6-3-11)18-15(20)8-1-10-9-12(17)4-7-14(10)19/h1-9,19H,16-17H2,(H,18,20)/b8-1+
InChIKeyZHYITZOAXZCFHO-UNXLUWIOSA-N
XLogP2.21
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 22034667
2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride
CID 22034703
(E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 22034692
(Z)-4-(3-amino-4-hydroxyanilino)-N-(4-aminophenyl)but-2-enamide
CID 144517926
(E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide
CID 115344816
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
(E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 84553251
(E)-3-(4-aminophenyl)-N-(3-bromo-4-methylphenyl)prop-2-enamide
CID 84553975
4-amino-N-(4-aminophenyl)-2-hydroxybenzamide
CID 18931495
sodium;hydride;methyl 4-(4-aminoanilino)-4-oxobut-2-enoate
CID 174970196
(E)-3-(2,5-diaminophenyl)-N-methylprop-2-enamide;hydrochloride
CID 23431722
(E)-3-(4-aminophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84551872

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide (CID 12067437) is (E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide is Nc1ccc(NC(=O)/C=C/c2cc(N)ccc2O)cc1.
What is the InChIKey of (E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide?
The InChIKey is ZHYITZOAXZCFHO-UNXLUWIOSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-11-2-5-13(6-3-11)18-15(20)8-1-10-9-12(17)4-7-14(10)19/h1-9,19H,16-17H2,(H,18,20)/b8-1+.
What are the key properties of (E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide?
(E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide has a molecular weight of 269.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide is sourced from PubChem (CID 12067437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).