N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide

C18H17NO3 — CID 39735032

IUPACN-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(C(=O)/C=C/c2cccc(C)c2)c1
InChIInChI=1S/C18H17NO3/c1-12-4-3-5-14(10-12)6-8-17(21)16-11-15(19-13(2)20)7-9-18(16)22/h3-11,22H,1-2H3,(H,19,20)/b8-6+
InChIKeyFVHVAIUZTFUJKC-SOFGYWHQSA-N
MW295.34 g/mol
LogP3.56
Rot. Bonds4

About N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide

N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide (PubChem CID 39735032) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
PubChem CID39735032
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(C(=O)/C=C/c2cccc(C)c2)c1
InChIInChI=1S/C18H17NO3/c1-12-4-3-5-14(10-12)6-8-17(21)16-11-15(19-13(2)20)7-9-18(16)22/h3-11,22H,1-2H3,(H,19,20)/b8-6+
InChIKeyFVHVAIUZTFUJKC-SOFGYWHQSA-N
XLogP3.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26908907
N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide
CID 39735035
(E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 100958822
4-[4-hydroxy-3-[3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]anilino]-4-oxobutanoic acid
CID 3023519
N-(3-methylphenyl)acetamide
CID 10843
N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide
CID 6366416
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
1-(2,5-dihydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 71334768
3-[4-hydroxy-3-(3-phenylprop-2-enoyl)phenyl]prop-2-enoic acid
CID 54370841
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
(E)-1-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 13145088

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide?
The IUPAC name of N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide (CID 39735032) is N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide?
The canonical SMILES for N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide is CC(=O)Nc1ccc(O)c(C(=O)/C=C/c2cccc(C)c2)c1.
What is the InChIKey of N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide?
The InChIKey is FVHVAIUZTFUJKC-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12-4-3-5-14(10-12)6-8-17(21)16-11-15(19-13(2)20)7-9-18(16)22/h3-11,22H,1-2H3,(H,19,20)/b8-6+.
What are the key properties of N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide?
N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 39735032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).