3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide

C15H21NO2 — CID 70427358

IUPAC3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide
SMILESCC(C)c1cc(C=CC(N)=O)cc(C(C)C)c1O
InChIInChI=1S/C15H21NO2/c1-9(2)12-7-11(5-6-14(16)17)8-13(10(3)4)15(12)18/h5-10,18H,1-4H3,(H2,16,17)
InChIKeyNQOVJDFBZYVLJQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.14
Rot. Bonds4

About 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide

3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide (PubChem CID 70427358) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide
PubChem CID70427358
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide
SMILESCC(C)c1cc(C=CC(N)=O)cc(C(C)C)c1O
InChIInChI=1S/C15H21NO2/c1-9(2)12-7-11(5-6-14(16)17)8-13(10(3)4)15(12)18/h5-10,18H,1-4H3,(H2,16,17)
InChIKeyNQOVJDFBZYVLJQ-UHFFFAOYSA-N
XLogP3.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.14
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

(Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide
CID 55267922
4-dimethoxyphosphoryl-1-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-4-methylpent-1-en-3-one
CID 85115105
ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 142207666
3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide
CID 174971190
(Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide
CID 170877788
3-(3,5-dibromophenyl)prop-2-enamide
CID 169482889
(Z)-3-(3,5-dichlorophenyl)prop-2-enamide
CID 170876496
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide
CID 169482858
4-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one
CID 70633151
(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 142522237
(E)-2-[(E)-1-cyano-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethenyl]sulfonyl-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enenitrile
CID 10186353

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide?
The IUPAC name of 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide (CID 70427358) is 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide is CC(C)c1cc(C=CC(N)=O)cc(C(C)C)c1O.
What is the InChIKey of 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide?
The InChIKey is NQOVJDFBZYVLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9(2)12-7-11(5-6-14(16)17)8-13(10(3)4)15(12)18/h5-10,18H,1-4H3,(H2,16,17).
What are the key properties of 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide?
3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 70427358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).