N'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide

C18H18N2O3 — CID 2387636

IUPACN'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC2=CCc3ccccc32)cc1OC
InChIInChI=1S/C18H18N2O3/c1-22-16-10-8-13(11-17(16)23-2)18(21)20-19-15-9-7-12-5-3-4-6-14(12)15/h3-6,8-11,19H,7H2,1-2H3,(H,20,21)
InChIKeyBHKLTKYMNGNKOV-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.54
Rot. Bonds5

About N'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide

N'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide (PubChem CID 2387636) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide
PubChem CID2387636
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC2=CCc3ccccc32)cc1OC
InChIInChI=1S/C18H18N2O3/c1-22-16-10-8-13(11-17(16)23-2)18(21)20-19-15-9-7-12-5-3-4-6-14(12)15/h3-6,8-11,19H,7H2,1-2H3,(H,20,21)
InChIKeyBHKLTKYMNGNKOV-UHFFFAOYSA-N
XLogP2.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-dimethoxybenzoyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carbohydrazide
CID 25393836
3,4-dimethoxy-N-sulfanylbenzamide
CID 71771275
N'-(9H-fluoren-9-yl)-3,4-dimethoxybenzohydrazide
CID 26619016
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide
CID 6027685
methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
CID 17175462
N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide
CID 4923492
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 873947
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 24645355
4-ethoxy-N-(9H-fluoren-2-yl)-3-methoxybenzamide
CID 26889772

Frequently Asked Questions

What is the IUPAC name of N'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide (CID 2387636) is N'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC2=CCc3ccccc32)cc1OC.
What is the InChIKey of N'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide?
The InChIKey is BHKLTKYMNGNKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-16-10-8-13(11-17(16)23-2)18(21)20-19-15-9-7-12-5-3-4-6-14(12)15/h3-6,8-11,19H,7H2,1-2H3,(H,20,21).
What are the key properties of N'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide?
N'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide has a molecular weight of 310.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3H-inden-1-yl)-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 2387636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).