4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide

C23H28N2O4 — CID 86957152

IUPAC4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CC2CCc3ccccc32)cc1OC
InChIInChI=1S/C23H28N2O4/c1-3-4-13-29-20-12-11-18(14-21(20)28-2)23(27)25-24-22(26)15-17-10-9-16-7-5-6-8-19(16)17/h5-8,11-12,14,17H,3-4,9-10,13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWEFFRVJRXSQISG-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.76
Rot. Bonds8

About 4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide

4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide (PubChem CID 86957152) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide.

Molecular Properties

Compound Name4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide
PubChem CID86957152
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CC2CCc3ccccc32)cc1OC
InChIInChI=1S/C23H28N2O4/c1-3-4-13-29-20-12-11-18(14-21(20)28-2)23(27)25-24-22(26)15-17-10-9-16-7-5-6-8-19(16)17/h5-8,11-12,14,17H,3-4,9-10,13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWEFFRVJRXSQISG-UHFFFAOYSA-N
XLogP3.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
4-butoxy-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-methoxybenzohydrazide
CID 8938936
N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 24553492
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide
CID 30317919
4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9417984
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
4-butoxy-3-methoxy-N'-[(1S,3R)-3-(trifluoromethyl)cyclohexanecarbonyl]benzohydrazide
CID 51959294
N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 35781657
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide?
The IUPAC name of 4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide (CID 86957152) is 4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide.
What is the SMILES notation for 4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide?
The canonical SMILES for 4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)CC2CCc3ccccc32)cc1OC.
What is the InChIKey of 4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide?
The InChIKey is WEFFRVJRXSQISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-4-13-29-20-12-11-18(14-21(20)28-2)23(27)25-24-22(26)15-17-10-9-16-7-5-6-8-19(16)17/h5-8,11-12,14,17H,3-4,9-10,13,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide?
4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide has a molecular weight of 396.49 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide is sourced from PubChem (CID 86957152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).