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

C16H15NO2 — CID 107735974

IUPAC(E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C16H15NO2/c1-17(14-8-5-9-15(18)12-14)16(19)11-10-13-6-3-2-4-7-13/h2-12,18H,1H3/b11-10+
InChIKeyMADFZNOQSZPGJG-ZHACJKMWSA-N
MW253.30 g/mol
LogP3.07
Rot. Bonds3

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

(E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide (PubChem CID 107735974) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide
PubChem CID107735974
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C16H15NO2/c1-17(14-8-5-9-15(18)12-14)16(19)11-10-13-6-3-2-4-7-13/h2-12,18H,1H3/b11-10+
InChIKeyMADFZNOQSZPGJG-ZHACJKMWSA-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)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 84552100
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
(E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide
CID 84554353
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
CID 97304849
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 71306931
5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 107734002
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
(E)-N-ethenyl-N,3-diphenylprop-2-enamide
CID 10377378
(E)-3-[3-(dimethylamino)phenyl]prop-2-enoic acid
CID 18680519
3-[3-[methyl(phenyl)carbamoyl]phenyl]prop-2-enoic acid
CID 76907328

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide (CID 107735974) is (E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide is CN(C(=O)/C=C/c1ccccc1)c1cccc(O)c1.
What is the InChIKey of (E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide?
The InChIKey is MADFZNOQSZPGJG-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H15NO2/c1-17(14-8-5-9-15(18)12-14)16(19)11-10-13-6-3-2-4-7-13/h2-12,18H,1H3/b11-10+.
What are the key properties of (E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide?
(E)-N-(3-hydroxyphenyl)-N-methyl-3-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)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 107735974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).