2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide

C18H18N2O3 — CID 4929285

IUPAC2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1C)C(=O)Nc1ccccc1O
InChIInChI=1S/C18H18N2O3/c1-12-7-3-4-8-14(12)11-16(19-13(2)21)18(23)20-15-9-5-6-10-17(15)22/h3-11,22H,1-2H3,(H,19,21)(H,20,23)
InChIKeyQEKOWQKSGUMRLH-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.82
Rot. Bonds4

About 2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide

2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide (PubChem CID 4929285) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide
PubChem CID4929285
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1C)C(=O)Nc1ccccc1O
InChIInChI=1S/C18H18N2O3/c1-12-7-3-4-8-14(12)11-16(19-13(2)21)18(23)20-15-9-5-6-10-17(15)22/h3-11,22H,1-2H3,(H,19,21)(H,20,23)
InChIKeyQEKOWQKSGUMRLH-UHFFFAOYSA-N
XLogP2.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-acetamido-N-(2,3-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 19629147
(Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285905
2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
CID 4947897
(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 54777104
(Z)-2-acetamido-N-(4-anilinophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285895
2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929239
(Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285888
(Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285918
(Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide
CID 19629150
2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929290
2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)prop-2-enamide
CID 4925534
ethyl 4-[[2-acetamido-3-(2-methylphenyl)prop-2-enoyl]amino]benzoate
CID 4929280

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of 2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide (CID 4929285) is 2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for 2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for 2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide is CC(=O)NC(=Cc1ccccc1C)C(=O)Nc1ccccc1O.
What is the InChIKey of 2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is QEKOWQKSGUMRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-7-3-4-8-14(12)11-16(19-13(2)21)18(23)20-15-9-5-6-10-17(15)22/h3-11,22H,1-2H3,(H,19,21)(H,20,23).
What are the key properties of 2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide?
2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 310.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 4929285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).