N-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide

C20H18N2O5 — CID 166606852

IUPACN-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide
SMILESCOc1ccc(-c2cc(/N=N/C(=O)c3ccc(C)cc3)c(O)o2)cc1OC
InChIInChI=1S/C20H18N2O5/c1-12-4-6-13(7-5-12)19(23)22-21-15-11-17(27-20(15)24)14-8-9-16(25-2)18(10-14)26-3/h4-11,24H,1-3H3/b22-21+
InChIKeySGFVAYPPPWCVNI-QURGRASLSA-N
MW366.37 g/mol
LogP4.90
Rot. Bonds5

About N-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide

N-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide (PubChem CID 166606852) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide
PubChem CID166606852
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide
SMILESCOc1ccc(-c2cc(/N=N/C(=O)c3ccc(C)cc3)c(O)o2)cc1OC
InChIInChI=1S/C20H18N2O5/c1-12-4-6-13(7-5-12)19(23)22-21-15-11-17(27-20(15)24)14-8-9-16(25-2)18(10-14)26-3/h4-11,24H,1-3H3/b22-21+
InChIKeySGFVAYPPPWCVNI-QURGRASLSA-N
XLogP4.90
TPSA93.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
5-[5-(3,4-dimethoxyphenyl)-3-methylfuran-2-yl]-2-methoxyphenol
CID 143935869
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
[4-[(4-chlorobenzoyl)diazenyl]anilino] 3,4-dimethoxybenzoate
CID 5230149
[4-[(3,5-dihydroxybenzoyl)diazenyl]anilino] 3,4-dimethoxybenzoate
CID 5088307
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463044
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
2-[[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]amino]butanoic acid
CID 3749969
ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate
CID 14115361
(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine
CID 6871166
2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 14235163

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide (CID 166606852) is N-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide is COc1ccc(-c2cc(/N=N/C(=O)c3ccc(C)cc3)c(O)o2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide?
The InChIKey is SGFVAYPPPWCVNI-QURGRASLSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12-4-6-13(7-5-12)19(23)22-21-15-11-17(27-20(15)24)14-8-9-16(25-2)18(10-14)26-3/h4-11,24H,1-3H3/b22-21+.
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide?
N-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide has a molecular weight of 366.37 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)-2-hydroxyfuran-3-yl]imino-4-methylbenzamide is sourced from PubChem (CID 166606852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).