(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide

C16H15NO2 — CID 84552100

IUPAC(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-17(14-5-3-2-4-6-14)16(19)12-9-13-7-10-15(18)11-8-13/h2-12,18H,1H3/b12-9+
InChIKeyRGYHISSBAXJUSP-FMIVXFBMSA-N
MW253.30 g/mol
LogP3.07
Rot. Bonds3

About (E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide

(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide (PubChem CID 84552100) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
PubChem CID84552100
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-17(14-5-3-2-4-6-14)16(19)12-9-13-7-10-15(18)11-8-13/h2-12,18H,1H3/b12-9+
InChIKeyRGYHISSBAXJUSP-FMIVXFBMSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide
CID 107735974
(E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide
CID 84554353
(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-N-phenylprop-2-enamide
CID 18190716
N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide
CID 134109031
3-[4-(N-methylanilino)phenyl]prop-2-enoic acid
CID 74580701
1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea
CID 108903288
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
(Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 82153763
2-[carboxymethyl-[3-(4-hydroxyphenyl)prop-2-enoyl]amino]acetic acid
CID 77003605
(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84552695
2-[3-(4-hydroxyphenyl)prop-2-enoyl-methylamino]butanoic acid
CID 76930543
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide (CID 84552100) is (E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide is CN(C(=O)/C=C/c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of (E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide?
The InChIKey is RGYHISSBAXJUSP-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H15NO2/c1-17(14-5-3-2-4-6-14)16(19)12-9-13-7-10-15(18)11-8-13/h2-12,18H,1H3/b12-9+.
What are the key properties of (E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide?
(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide has a molecular weight of 253.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide is sourced from PubChem (CID 84552100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).