[(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate

C16H17NO6 — CID 5454853

IUPAC[(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)O/N=C(/C)c2ccco2)cc(OC)c1OC
InChIInChI=1S/C16H17NO6/c1-10(12-6-5-7-22-12)17-23-16(18)11-8-13(19-2)15(21-4)14(9-11)20-3/h5-9H,1-4H3/b17-10-
InChIKeyFAQPERCZQOQCQS-YVLHZVERSA-N
MW319.31 g/mol
LogP2.89
Rot. Bonds6

About [(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate

[(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate (PubChem CID 5454853) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is [(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate
PubChem CID5454853
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name[(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)O/N=C(/C)c2ccco2)cc(OC)c1OC
InChIInChI=1S/C16H17NO6/c1-10(12-6-5-7-22-12)17-23-16(18)11-8-13(19-2)15(21-4)14(9-11)20-3/h5-9H,1-4H3/b17-10-
InChIKeyFAQPERCZQOQCQS-YVLHZVERSA-N
XLogP2.89
TPSA79.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate
CID 3387380
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 760187
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate
CID 91972727
[(E)-[1-(furan-2-yl)-1-oxopropan-2-ylidene]amino] benzoate
CID 6160023
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126008403
N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2886874
[(4-benzoyloxyiminocyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate
CID 5120394
1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione
CID 43321207
N-[1-(furan-2-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 922218
[2-(dimethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2105065
[[1-amino-2-(4-nitrophenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate
CID 2913010
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]methanamine
CID 133168860

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate?
The IUPAC name of [(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate (CID 5454853) is [(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate.
What is the SMILES notation for [(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate?
The canonical SMILES for [(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate is COc1cc(C(=O)O/N=C(/C)c2ccco2)cc(OC)c1OC.
What is the InChIKey of [(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate?
The InChIKey is FAQPERCZQOQCQS-YVLHZVERSA-N. The full InChI is InChI=1S/C16H17NO6/c1-10(12-6-5-7-22-12)17-23-16(18)11-8-13(19-2)15(21-4)14(9-11)20-3/h5-9H,1-4H3/b17-10-.
What are the key properties of [(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate?
[(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate has a molecular weight of 319.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 5454853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).