N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide

C14H19NO3 — CID 77046984

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCCC(C)(CO)NC(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/C14H19NO3/c1-3-14(2,10-16)15-13(18)9-6-11-4-7-12(17)8-5-11/h4-9,16-17H,3,10H2,1-2H3,(H,15,18)
InChIKeyLOHNHXBLXCNYAP-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.68
Rot. Bonds5

About N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide

N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 77046984) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID77046984
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCCC(C)(CO)NC(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/C14H19NO3/c1-3-14(2,10-16)15-13(18)9-6-11-4-7-12(17)8-5-11/h4-9,16-17H,3,10H2,1-2H3,(H,15,18)
InChIKeyLOHNHXBLXCNYAP-UHFFFAOYSA-N
XLogP1.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-cyanophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 77046773
N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 77046708
(E)-3-(4-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
CID 103946118
(E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 84555497
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 103945790
N-(1-hydroxy-2-methylbutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77046869
3-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 77046821
N-(1-hydroxy-2-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 77046875
N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide
CID 73010667
(E)-3-(4-fluorophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]prop-2-enamide
CID 103890819
ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 159734710
N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide
CID 77046922

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide (CID 77046984) is N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide is CCC(C)(CO)NC(=O)C=Cc1ccc(O)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is LOHNHXBLXCNYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-14(2,10-16)15-13(18)9-6-11-4-7-12(17)8-5-11/h4-9,16-17H,3,10H2,1-2H3,(H,15,18).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide?
N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 249.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 77046984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).