3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide

C18H18N2O4 — CID 17126917

IUPAC3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide
SMILESC=CCOc1cccc(/C(C)=N/NC(=O)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C18H18N2O4/c1-3-7-24-17-6-4-5-13(10-17)12(2)19-20-18(23)14-8-15(21)11-16(22)9-14/h3-6,8-11,21-22H,1,7H2,2H3,(H,20,23)/b19-12+
InChIKeyPDMLTSYOOAQDTL-XDHOZWIPSA-N
MW326.35 g/mol
LogP2.82
Rot. Bonds6

About 3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide

3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide (PubChem CID 17126917) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide
PubChem CID17126917
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide
SMILESC=CCOc1cccc(/C(C)=N/NC(=O)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C18H18N2O4/c1-3-7-24-17-6-4-5-13(10-17)12(2)19-20-18(23)14-8-15(21)11-16(22)9-14/h3-6,8-11,21-22H,1,7H2,2H3,(H,20,23)/b19-12+
InChIKeyPDMLTSYOOAQDTL-XDHOZWIPSA-N
XLogP2.82
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
N-[1-(4-hydroxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925771
N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
CID 6232405
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate
CID 9058737
N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide
CID 4928953
2-[3-[(Z)-C-methyl-N-[(3,4,5-trimethoxybenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
CID 9231733
N-[1-(4-methoxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925777
2-[3-[(Z)-C-methyl-N-[[4-(phenoxymethyl)benzoyl]amino]carbonimidoyl]phenoxy]acetic acid
CID 8518059
N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925774
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928960
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide
CID 5076368

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide (CID 17126917) is 3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide is C=CCOc1cccc(/C(C)=N/NC(=O)c2cc(O)cc(O)c2)c1.
What is the InChIKey of 3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide?
The InChIKey is PDMLTSYOOAQDTL-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-7-24-17-6-4-5-13(10-17)12(2)19-20-18(23)14-8-15(21)11-16(22)9-14/h3-6,8-11,21-22H,1,7H2,2H3,(H,20,23)/b19-12+.
What are the key properties of 3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide?
3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide has a molecular weight of 326.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 17126917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).