2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide

C18H22N2O6 — CID 9084950

IUPAC2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cc(C)oc2C)c(OC)c1OC
InChIInChI=1S/C18H22N2O6/c1-10-8-13(11(2)26-10)18(22)20-19-15(21)9-12-6-7-14(23-3)17(25-5)16(12)24-4/h6-8H,9H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyWNVYOQTYQGBKGV-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.93
Rot. Bonds6

About 2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide (PubChem CID 9084950) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide
PubChem CID9084950
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cc(C)oc2C)c(OC)c1OC
InChIInChI=1S/C18H22N2O6/c1-10-8-13(11(2)26-10)18(22)20-19-15(21)9-12-6-7-14(23-3)17(25-5)16(12)24-4/h6-8H,9H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyWNVYOQTYQGBKGV-UHFFFAOYSA-N
XLogP1.93
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7808964
2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide
CID 8870426
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9427814
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 9277093
4-bromo-1-methyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]pyrrole-2-carbohydrazide
CID 24533026
N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2677212
2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide
CID 39708207
2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide
CID 4808584
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715711
N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 55332060

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide (CID 9084950) is 2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide is COc1ccc(CC(=O)NNC(=O)c2cc(C)oc2C)c(OC)c1OC.
What is the InChIKey of 2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide?
The InChIKey is WNVYOQTYQGBKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-10-8-13(11(2)26-10)18(22)20-19-15(21)9-12-6-7-14(23-3)17(25-5)16(12)24-4/h6-8H,9H2,1-5H3,(H,19,21)(H,20,22).
What are the key properties of 2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide has a molecular weight of 362.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide is sourced from PubChem (CID 9084950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).