N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide

C17H15NO3 — CID 139798342

IUPACN-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H15NO3/c1-11(2)17(21)18-13-8-9-14(15(19)10-13)16(20)12-6-4-3-5-7-12/h3-10,19H,1H2,2H3,(H,18,21)
InChIKeyOCWDQMORMWITNS-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.14
Rot. Bonds4

About N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide

N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide (PubChem CID 139798342) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide
PubChem CID139798342
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H15NO3/c1-11(2)17(21)18-13-8-9-14(15(19)10-13)16(20)12-6-4-3-5-7-12/h3-10,19H,1H2,2H3,(H,18,21)
InChIKeyOCWDQMORMWITNS-UHFFFAOYSA-N
XLogP3.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.14
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-(4-benzoyl-3-hydroxyphenyl)acetamide
CID 611295
N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide
CID 130352471
sodium;2-hydroxy-4-(2-methylprop-2-enoylamino)benzoic acid;prop-2-enoate
CID 23715008
2-chloro-4-(2-methylprop-2-enoylamino)benzoic acid
CID 20793404
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
N-(3-anilinophenyl)-2-methylprop-2-enamide
CID 67511613
[3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 22102020
calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
methyl 4-benzoyl-3-hydroxybenzoate
CID 132545644
4-benzamidosalicylic acid, calcium salt
CID 126959845
(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
CID 88685403
calcium;4-benzamido-2-hydroxybenzoic acid;hydride
CID 173372748

Frequently Asked Questions

What is the IUPAC name of N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide?
The IUPAC name of N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide (CID 139798342) is N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide?
The InChIKey is OCWDQMORMWITNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11(2)17(21)18-13-8-9-14(15(19)10-13)16(20)12-6-4-3-5-7-12/h3-10,19H,1H2,2H3,(H,18,21).
What are the key properties of N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide?
N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide has a molecular weight of 281.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 139798342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).