1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide

C18H22N4O6 — CID 138619994

IUPAC1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide
SMILESCOc1ccc(NNC(=O)C(=O)NNc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C18H22N4O6/c1-25-13-7-5-11(9-15(13)27-3)19-21-17(23)18(24)22-20-12-6-8-14(26-2)16(10-12)28-4/h5-10,19-20H,1-4H3,(H,21,23)(H,22,24)
InChIKeyYXXLDDRTCKDGRV-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.31
Rot. Bonds8

About 1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide

1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide (PubChem CID 138619994) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is 1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide.

Molecular Properties

Compound Name1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide
PubChem CID138619994
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC Name1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide
SMILESCOc1ccc(NNC(=O)C(=O)NNc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C18H22N4O6/c1-25-13-7-5-11(9-15(13)27-3)19-21-17(23)18(24)22-20-12-6-8-14(26-2)16(10-12)28-4/h5-10,19-20H,1-4H3,(H,21,23)(H,22,24)
InChIKeyYXXLDDRTCKDGRV-UHFFFAOYSA-N
XLogP1.31
TPSA119.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.31
H-Bond Donors ≤ 54
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

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CID 21197430
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1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)hydrazine
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N-fluoro-3,4-dimethoxyaniline
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N-(3,4-dimethoxyphenyl)methanethioamide
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N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
2-bromo-N-(3,4-dimethoxyphenyl)propanamide
CID 25219542
N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
CID 45000696
N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide
CID 103606001
N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide
CID 43315993
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303

Frequently Asked Questions

What is the IUPAC name of 1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide?
The IUPAC name of 1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide (CID 138619994) is 1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide.
What is the SMILES notation for 1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide?
The canonical SMILES for 1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide is COc1ccc(NNC(=O)C(=O)NNc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide?
The InChIKey is YXXLDDRTCKDGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6/c1-25-13-7-5-11(9-15(13)27-3)19-21-17(23)18(24)22-20-12-6-8-14(26-2)16(10-12)28-4/h5-10,19-20H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide?
1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide has a molecular weight of 390.40 g/mol, XLogP of 1.31, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide is sourced from PubChem (CID 138619994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).