4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide

C21H23N3O4 — CID 9151418

IUPAC4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)CCn2ccc3ccccc32)cc1OC
InChIInChI=1S/C21H23N3O4/c1-3-28-18-9-8-16(14-19(18)27-2)21(26)23-22-20(25)11-13-24-12-10-15-6-4-5-7-17(15)24/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKRHDDUPALXYLLV-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.90
Rot. Bonds7

About 4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide

4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide (PubChem CID 9151418) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide.

Molecular Properties

Compound Name4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide
PubChem CID9151418
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)CCn2ccc3ccccc32)cc1OC
InChIInChI=1S/C21H23N3O4/c1-3-28-18-9-8-16(14-19(18)27-2)21(26)23-22-20(25)11-13-24-12-10-15-6-4-5-7-17(15)24/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKRHDDUPALXYLLV-UHFFFAOYSA-N
XLogP2.90
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide
CID 17080278
4-ethoxy-3-methoxy-N'-(2-naphthalen-2-ylacetyl)benzohydrazide
CID 9439837
4-ethoxy-3-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 30860668
N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78816707
3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide
CID 17080383
4-ethoxy-3-methoxy-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
CID 9439850
2-ethoxy-N'-(2-indol-1-ylacetyl)benzohydrazide
CID 17080340
N'-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 35426630
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 8901422
3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide
CID 18119415

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide?
The IUPAC name of 4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide (CID 9151418) is 4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide.
What is the SMILES notation for 4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide?
The canonical SMILES for 4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)CCn2ccc3ccccc32)cc1OC.
What is the InChIKey of 4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide?
The InChIKey is KRHDDUPALXYLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-3-28-18-9-8-16(14-19(18)27-2)21(26)23-22-20(25)11-13-24-12-10-15-6-4-5-7-17(15)24/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide?
4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide has a molecular weight of 381.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide is sourced from PubChem (CID 9151418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).