(E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide

C16H16N2O2 — CID 115344816

IUPAC(E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2cccc(N)c2)ccc1O
InChIInChI=1S/C16H16N2O2/c1-11-9-14(6-7-15(11)19)18-16(20)8-5-12-3-2-4-13(17)10-12/h2-10,19H,17H2,1H3,(H,18,20)/b8-5+
InChIKeyBDTYEWNZWFLWNP-VMPITWQZSA-N
MW268.32 g/mol
LogP2.93
Rot. Bonds3

About (E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide (PubChem CID 115344816) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide
PubChem CID115344816
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2cccc(N)c2)ccc1O
InChIInChI=1S/C16H16N2O2/c1-11-9-14(6-7-15(11)19)18-16(20)8-5-12-3-2-4-13(17)10-12/h2-10,19H,17H2,1H3,(H,18,20)/b8-5+
InChIKeyBDTYEWNZWFLWNP-VMPITWQZSA-N
XLogP2.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

(E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide
CID 106954289
(E)-3-(3-aminophenyl)-N-(4-bromo-3-chlorophenyl)prop-2-enamide
CID 107620216
(E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide
CID 114839695
(E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 39406540
(E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 115342730
(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 837187
(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 115342702
(E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide
CID 115343106
(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26908907
(E)-3-(3-aminophenyl)-N-(3-bromo-2-methylphenyl)prop-2-enamide
CID 107625190
(E)-3-(4-aminophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84551872
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide (CID 115344816) is (E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide is Cc1cc(NC(=O)/C=C/c2cccc(N)c2)ccc1O.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide?
The InChIKey is BDTYEWNZWFLWNP-VMPITWQZSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-9-14(6-7-15(11)19)18-16(20)8-5-12-3-2-4-13(17)10-12/h2-10,19H,17H2,1H3,(H,18,20)/b8-5+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide has a molecular weight of 268.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 115344816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).