N'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide

C26H26N2O5 — CID 1000056

IUPACN'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide
SMILESCOc1cccc(OC)c1C(=O)NNC(=O)c1cccc(COc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C26H26N2O5/c1-31-22-10-5-11-23(32-2)24(22)26(30)28-27-25(29)20-9-3-6-17(14-20)16-33-21-13-12-18-7-4-8-19(18)15-21/h3,5-6,9-15H,4,7-8,16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyIBLBYMOMDRCDFN-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.85
Rot. Bonds7

About N'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide

N'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide (PubChem CID 1000056) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is N'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide
PubChem CID1000056
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC NameN'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide
SMILESCOc1cccc(OC)c1C(=O)NNC(=O)c1cccc(COc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C26H26N2O5/c1-31-22-10-5-11-23(32-2)24(22)26(30)28-27-25(29)20-9-3-6-17(14-20)16-33-21-13-12-18-7-4-8-19(18)15-21/h3,5-6,9-15H,4,7-8,16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyIBLBYMOMDRCDFN-UHFFFAOYSA-N
XLogP3.85
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide?
The IUPAC name of N'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide (CID 1000056) is N'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide?
The canonical SMILES for N'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide is COc1cccc(OC)c1C(=O)NNC(=O)c1cccc(COc2ccc3c(c2)CCC3)c1.
What is the InChIKey of N'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide?
The InChIKey is IBLBYMOMDRCDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-31-22-10-5-11-23(32-2)24(22)26(30)28-27-25(29)20-9-3-6-17(14-20)16-33-21-13-12-18-7-4-8-19(18)15-21/h3,5-6,9-15H,4,7-8,16H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide?
N'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide has a molecular weight of 446.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoyl]-2,6-dimethoxybenzohydrazide is sourced from PubChem (CID 1000056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).