N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide

C23H30N2O7 — CID 34250355

IUPACN'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)Cc2ccc(OC)c(OC)c2)cc(OCC)c1OCC
InChIInChI=1S/C23H30N2O7/c1-6-30-19-13-16(14-20(31-7-2)22(19)32-8-3)23(27)25-24-21(26)12-15-9-10-17(28-4)18(11-15)29-5/h9-11,13-14H,6-8,12H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyQUHVOEKIPZVZNQ-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.90
Rot. Bonds11

About N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide

N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide (PubChem CID 34250355) has the molecular formula C23H30N2O7 and a molecular weight of 446.50 g/mol. Its IUPAC name is N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide
PubChem CID34250355
Molecular FormulaC23H30N2O7
Molecular Weight446.50 g/mol
Exact Mass446.21
IUPAC NameN'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)Cc2ccc(OC)c(OC)c2)cc(OCC)c1OCC
InChIInChI=1S/C23H30N2O7/c1-6-30-19-13-16(14-20(31-7-2)22(19)32-8-3)23(27)25-24-21(26)12-15-9-10-17(28-4)18(11-15)29-5/h9-11,13-14H,6-8,12H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyQUHVOEKIPZVZNQ-UHFFFAOYSA-N
XLogP2.90
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
4-ethoxy-3-methoxy-N'-(2-naphthalen-2-ylacetyl)benzohydrazide
CID 9439837
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide
CID 46422379
3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide
CID 26798030
N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934164
N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 4808541
N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227
4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide
CID 55601488
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
4-ethoxy-3-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 30860668
N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 9090512

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide?
The IUPAC name of N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide (CID 34250355) is N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide?
The canonical SMILES for N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide is CCOc1cc(C(=O)NNC(=O)Cc2ccc(OC)c(OC)c2)cc(OCC)c1OCC.
What is the InChIKey of N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide?
The InChIKey is QUHVOEKIPZVZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O7/c1-6-30-19-13-16(14-20(31-7-2)22(19)32-8-3)23(27)25-24-21(26)12-15-9-10-17(28-4)18(11-15)29-5/h9-11,13-14H,6-8,12H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide?
N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide has a molecular weight of 446.50 g/mol, XLogP of 2.90, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide is sourced from PubChem (CID 34250355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).