(Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide

C17H25NO2 — CID 170876665

IUPAC(Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide
SMILESCC(C)(C)c1cc(/C=C\C(N)=O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H25NO2/c1-16(2,3)12-9-11(7-8-14(18)19)15(20)13(10-12)17(4,5)6/h7-10,20H,1-6H3,(H2,18,19)/b8-7-
InChIKeyVUJYUKGRUTYJIB-FPLPWBNLSA-N
MW275.39 g/mol
LogP3.49
Rot. Bonds2

About (Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide

(Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide (PubChem CID 170876665) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide
PubChem CID170876665
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide
SMILESCC(C)(C)c1cc(/C=C\C(N)=O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H25NO2/c1-16(2,3)12-9-11(7-8-14(18)19)15(20)13(10-12)17(4,5)6/h7-10,20H,1-6H3,(H2,18,19)/b8-7-
InChIKeyVUJYUKGRUTYJIB-FPLPWBNLSA-N
XLogP3.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.49
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

[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]urea
CID 135824495
(E)-1-(3,5-ditert-butyl-2-hydroxyphenyl)-4-diethoxyphosphoryl-4-fluoropent-1-en-3-one
CID 10321126
potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate
CID 156678583
[(E)-1-cyclopentyl-4-(3,5-ditert-butyl-2-hydroxyphenyl)-2-oxobut-3-enoxy]-hydroxy-oxophosphanium
CID 87872797
[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)
CID 173083776
(Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide
CID 131497818
(E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide
CID 131233134
ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate
CID 136749406
2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt
CID 175001067
chlororuthenium(1+);2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]phenol;nitroxyl anion
CID 136631894
(E)-3-(4-tert-butylphenyl)prop-2-enamide
CID 47130646
3,5-ditert-butyl-2-hydroxybenzoic acid;formamide;titanium
CID 174960919

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide (CID 170876665) is (Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide is CC(C)(C)c1cc(/C=C\C(N)=O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of (Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide?
The InChIKey is VUJYUKGRUTYJIB-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2,3)12-9-11(7-8-14(18)19)15(20)13(10-12)17(4,5)6/h7-10,20H,1-6H3,(H2,18,19)/b8-7-.
What are the key properties of (Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide?
(Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide has a molecular weight of 275.39 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 170876665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).