2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide

C24H22N4O8 — CID 141034538

IUPAC2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide
SMILESCCN(NC(=O)c1cc2c(OC)cccc2o1)C(=O)C(=O)NNC(=O)c1cc2c(OC)cccc2o1
InChIInChI=1S/C24H22N4O8/c1-4-28(27-22(30)20-12-14-16(34-3)8-6-10-18(14)36-20)24(32)23(31)26-25-21(29)19-11-13-15(33-2)7-5-9-17(13)35-19/h5-12H,4H2,1-3H3,(H,25,29)(H,26,31)(H,27,30)
InChIKeyVVESLXKBEFWQNA-UHFFFAOYSA-N
MW494.46 g/mol
LogP2.15
Rot. Bonds5

About 2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide

2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide (PubChem CID 141034538) has the molecular formula C24H22N4O8 and a molecular weight of 494.46 g/mol. Its IUPAC name is 2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide.

Molecular Properties

Compound Name2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide
PubChem CID141034538
Molecular FormulaC24H22N4O8
Molecular Weight494.46 g/mol
Exact Mass494.14
IUPAC Name2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide
SMILESCCN(NC(=O)c1cc2c(OC)cccc2o1)C(=O)C(=O)NNC(=O)c1cc2c(OC)cccc2o1
InChIInChI=1S/C24H22N4O8/c1-4-28(27-22(30)20-12-14-16(34-3)8-6-10-18(14)36-20)24(32)23(31)26-25-21(29)19-11-13-15(33-2)7-5-9-17(13)35-19/h5-12H,4H2,1-3H3,(H,25,29)(H,26,31)(H,27,30)
InChIKeyVVESLXKBEFWQNA-UHFFFAOYSA-N
XLogP2.15
TPSA152.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.46
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-1-benzofuran-2-yl)ethanone
CID 3042306
1-(4-methoxy-1-benzofuran-2-yl)-2-methylsulfinylethanone
CID 53233010
N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide
CID 22728939
1-amino-3-[(4-methoxy-1-benzofuran-2-yl)amino]urea
CID 22729241
N'-[2-(2-methoxyphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 7719982
4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529275
1,2-bis(5-methoxy-2-oxochromen-3-yl)ethane-1,2-dione
CID 87234772
methyl 4-(3-hydroxypropoxy)-1-benzofuran-2-carboxylate
CID 142029288
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 90598011
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
(2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride
CID 74069880
3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088467

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide?
The IUPAC name of 2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide (CID 141034538) is 2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide.
What is the SMILES notation for 2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide?
The canonical SMILES for 2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide is CCN(NC(=O)c1cc2c(OC)cccc2o1)C(=O)C(=O)NNC(=O)c1cc2c(OC)cccc2o1.
What is the InChIKey of 2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide?
The InChIKey is VVESLXKBEFWQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O8/c1-4-28(27-22(30)20-12-14-16(34-3)8-6-10-18(14)36-20)24(32)23(31)26-25-21(29)19-11-13-15(33-2)7-5-9-17(13)35-19/h5-12H,4H2,1-3H3,(H,25,29)(H,26,31)(H,27,30).
What are the key properties of 2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide?
2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide has a molecular weight of 494.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide is sourced from PubChem (CID 141034538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).