(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide

C18H19NO2 — CID 84552695

IUPAC(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc(O)cc1)c1cccc(C)c1
InChIInChI=1S/C18H19NO2/c1-3-19(16-6-4-5-14(2)13-16)18(21)12-9-15-7-10-17(20)11-8-15/h4-13,20H,3H2,1-2H3/b12-9+
InChIKeyWPVGSXOQWOPERO-FMIVXFBMSA-N
MW281.36 g/mol
LogP3.77
Rot. Bonds4

About (E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide

(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide (PubChem CID 84552695) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide
PubChem CID84552695
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc(O)cc1)c1cccc(C)c1
InChIInChI=1S/C18H19NO2/c1-3-19(16-6-4-5-14(2)13-16)18(21)12-9-15-7-10-17(20)11-8-15/h4-13,20H,3H2,1-2H3/b12-9+
InChIKeyWPVGSXOQWOPERO-FMIVXFBMSA-N
XLogP3.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.77
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

N-ethyl-3-(4-methylphenyl)-N-phenylprop-2-enamide
CID 917661
(E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 5353234
(E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide
CID 17321061
(E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide
CID 39380514
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide
CID 126607669
(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 84552100
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108895597
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide
CID 16558543
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide (CID 84552695) is (E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide is CCN(C(=O)/C=C/c1ccc(O)cc1)c1cccc(C)c1.
What is the InChIKey of (E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
The InChIKey is WPVGSXOQWOPERO-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-19(16-6-4-5-14(2)13-16)18(21)12-9-15-7-10-17(20)11-8-15/h4-13,20H,3H2,1-2H3/b12-9+.
What are the key properties of (E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 84552695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).