(E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide

C17H25NO2 — CID 84555497

IUPAC(E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
SMILESCC(C)(C)CC(C)(C)NC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C17H25NO2/c1-16(2,3)12-17(4,5)18-15(20)11-8-13-6-9-14(19)10-7-13/h6-11,19H,12H2,1-5H3,(H,18,20)/b11-8+
InChIKeyWETHBFDDTPNPAS-DHZHZOJOSA-N
MW275.39 g/mol
LogP3.74
Rot. Bonds4

About (E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide

(E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide (PubChem CID 84555497) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
PubChem CID84555497
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
SMILESCC(C)(C)CC(C)(C)NC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C17H25NO2/c1-16(2,3)12-17(4,5)18-15(20)11-8-13-6-9-14(19)10-7-13/h6-11,19H,12H2,1-5H3,(H,18,20)/b11-8+
InChIKeyWETHBFDDTPNPAS-DHZHZOJOSA-N
XLogP3.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 77046984
N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 76988226
N-(2,4,4-trimethylpentan-2-yl)but-2-enamide
CID 112725240
(E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide
CID 46554675
(E)-3-(4-cyanophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide
CID 47128956
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 104709113
(E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide
CID 923522
N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide
CID 73010667
N-butyl-3-(4-hydroxyphenyl)prop-2-enamide
CID 56978455
4-(4-hydroxyphenyl)but-3-en-2-one
CID 159706417
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108908849
N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 61246484

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide (CID 84555497) is (E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide is CC(C)(C)CC(C)(C)NC(=O)/C=C/c1ccc(O)cc1.
What is the InChIKey of (E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
The InChIKey is WETHBFDDTPNPAS-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2,3)12-17(4,5)18-15(20)11-8-13-6-9-14(19)10-7-13/h6-11,19H,12H2,1-5H3,(H,18,20)/b11-8+.
What are the key properties of (E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
(E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide has a molecular weight of 275.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide is sourced from PubChem (CID 84555497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).