4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide

C24H32N2O7 — CID 30317919

IUPAC4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C24H32N2O7/c1-6-7-12-33-18-10-9-17(15-19(18)29-2)24(28)26-25-22(27)11-8-16-13-20(30-3)23(32-5)21(14-16)31-4/h9-10,13-15H,6-8,11-12H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyXJEOQRBPYBDWLK-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.29
Rot. Bonds12

About 4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide

4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide (PubChem CID 30317919) has the molecular formula C24H32N2O7 and a molecular weight of 460.53 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide
PubChem CID30317919
Molecular FormulaC24H32N2O7
Molecular Weight460.53 g/mol
Exact Mass460.22
IUPAC Name4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C24H32N2O7/c1-6-7-12-33-18-10-9-17(15-19(18)29-2)24(28)26-25-22(27)11-8-16-13-20(30-3)23(32-5)21(14-16)31-4/h9-10,13-15H,6-8,11-12H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyXJEOQRBPYBDWLK-UHFFFAOYSA-N
XLogP3.29
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 35781657
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
4-hexoxy-N'-[2-(3,4,5-trimethoxyphenyl)acetyl]benzohydrazide
CID 24677365
3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide
CID 24531696
4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 46437778
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide
CID 24514989
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide
CID 46490716

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide?
The IUPAC name of 4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide (CID 30317919) is 4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide?
The canonical SMILES for 4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide?
The InChIKey is XJEOQRBPYBDWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O7/c1-6-7-12-33-18-10-9-17(15-19(18)29-2)24(28)26-25-22(27)11-8-16-13-20(30-3)23(32-5)21(14-16)31-4/h9-10,13-15H,6-8,11-12H2,1-5H3,(H,25,27)(H,26,28).
What are the key properties of 4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide?
4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide has a molecular weight of 460.53 g/mol, XLogP of 3.29, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide is sourced from PubChem (CID 30317919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).