4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide

C17H18N2O5 — CID 89193911

IUPAC4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide
SMILESC=C(CCC(=O)Nc1ccc(O)c(O)c1)Nc1ccc(O)c(O)c1
InChIInChI=1S/C17H18N2O5/c1-10(18-11-3-5-13(20)15(22)8-11)2-7-17(24)19-12-4-6-14(21)16(23)9-12/h3-6,8-9,18,20-23H,1-2,7H2,(H,19,24)
InChIKeyFFAOGOIWZKVHOA-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.85
Rot. Bonds6

About 4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide

4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide (PubChem CID 89193911) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide.

Molecular Properties

Compound Name4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide
PubChem CID89193911
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide
SMILESC=C(CCC(=O)Nc1ccc(O)c(O)c1)Nc1ccc(O)c(O)c1
InChIInChI=1S/C17H18N2O5/c1-10(18-11-3-5-13(20)15(22)8-11)2-7-17(24)19-12-4-6-14(21)16(23)9-12/h3-6,8-9,18,20-23H,1-2,7H2,(H,19,24)
InChIKeyFFAOGOIWZKVHOA-UHFFFAOYSA-N
XLogP2.85
TPSA122.05 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 52.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-dihydroxyphenyl)-N-(4-hydroxyphenyl)butanediamide
CID 142837694
N,N'-bis[3,4-bis(methoxymethoxy)phenyl]butanediamide;N,N'-bis(3,4-dihydroxyphenyl)butanediamide;3,4-bis(methoxymethoxy)aniline
CID 158309178
N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 67560299
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701176
2-hydroxy-5-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid
CID 108808740
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913
N-(3-formyl-4-hydroxyphenyl)butanamide
CID 174392069
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199133
4-(5-bromo-2-hydroxyanilino)-4-oxobutanoic acid
CID 23822639
N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide
CID 21290134

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide?
The IUPAC name of 4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide (CID 89193911) is 4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide.
What is the SMILES notation for 4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide?
The canonical SMILES for 4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide is C=C(CCC(=O)Nc1ccc(O)c(O)c1)Nc1ccc(O)c(O)c1.
What is the InChIKey of 4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide?
The InChIKey is FFAOGOIWZKVHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-10(18-11-3-5-13(20)15(22)8-11)2-7-17(24)19-12-4-6-14(21)16(23)9-12/h3-6,8-9,18,20-23H,1-2,7H2,(H,19,24).
What are the key properties of 4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide?
4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide has a molecular weight of 330.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxyanilino)-N-(3,4-dihydroxyphenyl)pent-4-enamide is sourced from PubChem (CID 89193911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).