N-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide

C18H17NO3 — CID 23404988

IUPACN-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cc(C(=O)c2ccccc2)c(O)cc1C
InChIInChI=1S/C18H17NO3/c1-3-17(21)19-11-14-10-15(16(20)9-12(14)2)18(22)13-7-5-4-6-8-13/h3-10,20H,1,11H2,2H3,(H,19,21)
InChIKeyGWEWABSTSCFIPH-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.73
Rot. Bonds5

About N-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide

N-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide (PubChem CID 23404988) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide
PubChem CID23404988
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cc(C(=O)c2ccccc2)c(O)cc1C
InChIInChI=1S/C18H17NO3/c1-3-17(21)19-11-14-10-15(16(20)9-12(14)2)18(22)13-7-5-4-6-8-13/h3-10,20H,1,11H2,2H3,(H,19,21)
InChIKeyGWEWABSTSCFIPH-UHFFFAOYSA-N
XLogP2.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylphenyl)methyl]prop-2-enamide
CID 43616523
N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide
CID 136646298
N-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide
CID 70580651
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane
CID 175255493
(5-amino-4-ethoxy-2-hydroxyphenyl)-phenylmethanone;N-[2-(4-aminophenyl)ethyl]prop-2-enamide
CID 144837585
2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 71881144
N-[[2-[2-(4-chloro-2,5-dimethylanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 166421832
(2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone
CID 3578467
N-[[2-[2-[(3,4-dimethylphenyl)methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 167791724
N-[(2-methyl-5-nitrophenyl)methyl]prop-2-enamide
CID 13175475

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide?
The IUPAC name of N-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide (CID 23404988) is N-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide?
The canonical SMILES for N-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide is C=CC(=O)NCc1cc(C(=O)c2ccccc2)c(O)cc1C.
What is the InChIKey of N-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide?
The InChIKey is GWEWABSTSCFIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-3-17(21)19-11-14-10-15(16(20)9-12(14)2)18(22)13-7-5-4-6-8-13/h3-10,20H,1,11H2,2H3,(H,19,21).
What are the key properties of N-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide?
N-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide has a molecular weight of 295.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 23404988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).