(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide

C18H17NO3 — CID 42631047

IUPAC(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide
SMILESCOc1ccc(-c2ccc(/C=C/C=C/C(=O)NO)cc2)cc1
InChIInChI=1S/C18H17NO3/c1-22-17-12-10-16(11-13-17)15-8-6-14(7-9-15)4-2-3-5-18(20)19-21/h2-13,21H,1H3,(H,19,20)/b4-2+,5-3+
InChIKeyFXNPBRHKCIZIAB-ZUVMSYQZSA-N
MW295.34 g/mol
LogP3.44
Rot. Bonds5

About (2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide

(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide (PubChem CID 42631047) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide
PubChem CID42631047
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide
SMILESCOc1ccc(-c2ccc(/C=C/C=C/C(=O)NO)cc2)cc1
InChIInChI=1S/C18H17NO3/c1-22-17-12-10-16(11-13-17)15-8-6-14(7-9-15)4-2-3-5-18(20)19-21/h2-13,21H,1H3,(H,19,20)/b4-2+,5-3+
InChIKeyFXNPBRHKCIZIAB-ZUVMSYQZSA-N
XLogP3.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide
CID 11593830
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
methyl 6-[5-(4-methoxyphenyl)penta-2,4-dienoylamino]hexanoate
CID 76543369
(3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol
CID 89171740
methyl N-[3-(4-methoxyphenyl)prop-2-enoylamino]carbamate
CID 3316447
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide
CID 10062255
5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 71384226
(2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 127040918

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide (CID 42631047) is (2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide is COc1ccc(-c2ccc(/C=C/C=C/C(=O)NO)cc2)cc1.
What is the InChIKey of (2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide?
The InChIKey is FXNPBRHKCIZIAB-ZUVMSYQZSA-N. The full InChI is InChI=1S/C18H17NO3/c1-22-17-12-10-16(11-13-17)15-8-6-14(7-9-15)4-2-3-5-18(20)19-21/h2-13,21H,1H3,(H,19,20)/b4-2+,5-3+.
What are the key properties of (2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide?
(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide has a molecular weight of 295.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide is sourced from PubChem (CID 42631047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).