N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide

C16H15NO2 — CID 4248844

IUPACN-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccccc2)c(O)c1
InChIInChI=1S/C16H15NO2/c1-12-7-9-14(15(18)11-12)17-16(19)10-8-13-5-3-2-4-6-13/h2-11,18H,1H3,(H,17,19)
InChIKeyCOHMFVDQWDUNIT-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.35
Rot. Bonds3

About N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide

N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide (PubChem CID 4248844) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
PubChem CID4248844
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccccc2)c(O)c1
InChIInChI=1S/C16H15NO2/c1-12-7-9-14(15(18)11-12)17-16(19)10-8-13-5-3-2-4-6-13/h2-11,18H,1H3,(H,17,19)
InChIKeyCOHMFVDQWDUNIT-UHFFFAOYSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(E)-N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 884427
N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 884426
N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide
CID 154425563
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
(E)-N-(2-hydroxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2688131
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide
CID 76869273
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
(E)-3-(4-chlorophenyl)-N-[(2-hydroxy-4-methylphenyl)carbamothioyl]prop-2-enamide
CID 884929
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide (CID 4248844) is N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide is Cc1ccc(NC(=O)C=Cc2ccccc2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide?
The InChIKey is COHMFVDQWDUNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-7-9-14(15(18)11-12)17-16(19)10-8-13-5-3-2-4-6-13/h2-11,18H,1H3,(H,17,19).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide?
N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide has a molecular weight of 253.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 4248844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).