(E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide

C17H18N2O2 — CID 106954289

IUPAC(E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2cccc(N)c2)c(C)cc1O
InChIInChI=1S/C17H18N2O2/c1-11-9-16(20)12(2)8-15(11)19-17(21)7-6-13-4-3-5-14(18)10-13/h3-10,20H,18H2,1-2H3,(H,19,21)/b7-6+
InChIKeyVEDMOXNAXJHYOO-VOTSOKGWSA-N
MW282.34 g/mol
LogP3.24
Rot. Bonds3

About (E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide (PubChem CID 106954289) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide
PubChem CID106954289
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2cccc(N)c2)c(C)cc1O
InChIInChI=1S/C17H18N2O2/c1-11-9-16(20)12(2)8-15(11)19-17(21)7-6-13-4-3-5-14(18)10-13/h3-10,20H,18H2,1-2H3,(H,19,21)/b7-6+
InChIKeyVEDMOXNAXJHYOO-VOTSOKGWSA-N
XLogP3.24
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.24
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-3-methylphenyl)prop-2-enamide
CID 115344816
(E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide
CID 39403849
(E)-3-(3-aminophenyl)-N-(3-bromo-2-methylphenyl)prop-2-enamide
CID 107625190
(E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 39371944
(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 115342702
N-(2-hydroxy-4,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3713167
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
(E)-3-(3-aminophenyl)-N-(4-fluoro-2-iodophenyl)prop-2-enamide
CID 115344597
(E)-3-(3-aminophenyl)-N-(2-bromo-4-fluorophenyl)prop-2-enamide
CID 115342735
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
(E)-3-(3-aminophenyl)-N-(4-fluoro-2-methoxyphenyl)prop-2-enamide
CID 115343780
ethane;methyl (E)-3-(3-aminophenyl)prop-2-enoate
CID 144922211

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide (CID 106954289) is (E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide is Cc1cc(NC(=O)/C=C/c2cccc(N)c2)c(C)cc1O.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide?
The InChIKey is VEDMOXNAXJHYOO-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-9-16(20)12(2)8-15(11)19-17(21)7-6-13-4-3-5-14(18)10-13/h3-10,20H,18H2,1-2H3,(H,19,21)/b7-6+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide has a molecular weight of 282.34 g/mol, XLogP of 3.24, 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-2,5-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 106954289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).