3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide

C20H22N6O4 — CID 1166653

IUPAC3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCn2nnc(-c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C20H22N6O4/c1-13-4-6-14(7-5-13)19-22-25-26(24-19)11-10-18(27)21-23-20(28)15-8-9-16(29-2)17(12-15)30-3/h4-9,12H,10-11H2,1-3H3,(H,21,27)(H,23,28)
InChIKeyQZLDHOHBZQTZND-UHFFFAOYSA-N
MW410.43 g/mol
LogP1.52
Rot. Bonds7

About 3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide

3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide (PubChem CID 1166653) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide
PubChem CID1166653
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCn2nnc(-c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C20H22N6O4/c1-13-4-6-14(7-5-13)19-22-25-26(24-19)11-10-18(27)21-23-20(28)15-8-9-16(29-2)17(12-15)30-3/h4-9,12H,10-11H2,1-3H3,(H,21,27)(H,23,28)
InChIKeyQZLDHOHBZQTZND-UHFFFAOYSA-N
XLogP1.52
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[5-(4-ethoxy-phenyl)-tetrazol-2-yl]-ethanone
CID 649736
2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-1-phenyl-ethanone
CID 649972
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone
CID 650134
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethanone
CID 2550922
2-[5-(3,4-dimethoxyphenyl)-2H-tetraazol-2-yl]-N'-(4-methoxybenzoyl)acetohydrazide
CID 1164699
N'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide
CID 1166666
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[5-(4-propoxy-phenyl)-tetrazol-2-yl]-ethanone
CID 646461
2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, (phenylmethylene)hydrazide
CID 13482092
1-(3,4-dimethoxyphenyl)-2-(5-phenyl-2H-tetrazol-2-yl)ethanone
CID 921890
1-(3,4-Dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 7491001
1-(3,4-Dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 7713200
4-[2-[[4-(Difluoromethoxy)-3-methoxyphenyl]methyl]tetrazol-5-yl]benzamide
CID 8262862

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide (CID 1166653) is 3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)CCn2nnc(-c3ccc(C)cc3)n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide?
The InChIKey is QZLDHOHBZQTZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-13-4-6-14(7-5-13)19-22-25-26(24-19)11-10-18(27)21-23-20(28)15-8-9-16(29-2)17(12-15)30-3/h4-9,12H,10-11H2,1-3H3,(H,21,27)(H,23,28).
What are the key properties of 3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide?
3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide has a molecular weight of 410.43 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide is sourced from PubChem (CID 1166653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).