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

C16H15NO2 — CID 837187

IUPAC(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccccc2)cc1O
InChIInChI=1S/C16H15NO2/c1-12-7-9-14(11-15(12)18)17-16(19)10-8-13-5-3-2-4-6-13/h2-11,18H,1H3,(H,17,19)/b10-8+
InChIKeyHGDVIFKGPZKQIF-CSKARUKUSA-N
MW253.30 g/mol
LogP3.35
Rot. Bonds3

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

(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide (PubChem CID 837187) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
PubChem CID837187
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccccc2)cc1O
InChIInChI=1S/C16H15NO2/c1-12-7-9-14(11-15(12)18)17-16(19)10-8-13-5-3-2-4-6-13/h2-11,18H,1H3,(H,17,19)/b10-8+
InChIKeyHGDVIFKGPZKQIF-CSKARUKUSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(3-hydroxy-4-methylanilino)-4-oxobut-2-enoic acid
CID 107699575
(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide
CID 59569556
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
(E)-N-(3-bromo-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552549
(E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide
CID 115344816
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 4248844
N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide
CID 154425563
N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9416088
(E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide
CID 1364163
(E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide
CID 114259316

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide (CID 837187) is (E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide is Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1O.
What is the InChIKey of (E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide?
The InChIKey is HGDVIFKGPZKQIF-CSKARUKUSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-7-9-14(11-15(12)18)17-16(19)10-8-13-5-3-2-4-6-13/h2-11,18H,1H3,(H,17,19)/b10-8+.
What are the key properties of (E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide?
(E)-N-(3-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 (E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 837187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).