3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide

C20H21N5O5 — CID 24514993

IUPAC3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)Cn2nnc3ccccc3c2=O)cc1OC
InChIInChI=1S/C20H21N5O5/c1-3-10-30-16-9-8-13(11-17(16)29-2)19(27)23-22-18(26)12-25-20(28)14-6-4-5-7-15(14)21-24-25/h4-9,11H,3,10,12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyYCSGZVNAZMXPLI-UHFFFAOYSA-N
MW411.42 g/mol
LogP1.05
Rot. Bonds7

About 3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide

3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide (PubChem CID 24514993) has the molecular formula C20H21N5O5 and a molecular weight of 411.42 g/mol. Its IUPAC name is 3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide
PubChem CID24514993
Molecular FormulaC20H21N5O5
Molecular Weight411.42 g/mol
Exact Mass411.15
IUPAC Name3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)Cn2nnc3ccccc3c2=O)cc1OC
InChIInChI=1S/C20H21N5O5/c1-3-10-30-16-9-8-13(11-17(16)29-2)19(27)23-22-18(26)12-25-20(28)14-6-4-5-7-15(14)21-24-25/h4-9,11H,3,10,12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyYCSGZVNAZMXPLI-UHFFFAOYSA-N
XLogP1.05
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 51.05
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

N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 47042855
N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide
CID 26621803
3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide
CID 24583651
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780
N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
CID 26621825
3-methoxy-N'-[2-(4-phenylphenyl)acetyl]-4-propoxybenzohydrazide
CID 25443034
N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide
CID 26784395
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 27563734
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 34623549
3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55616585
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide?
The IUPAC name of 3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide (CID 24514993) is 3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide?
The canonical SMILES for 3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)Cn2nnc3ccccc3c2=O)cc1OC.
What is the InChIKey of 3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide?
The InChIKey is YCSGZVNAZMXPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5/c1-3-10-30-16-9-8-13(11-17(16)29-2)19(27)23-22-18(26)12-25-20(28)14-6-4-5-7-15(14)21-24-25/h4-9,11H,3,10,12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide?
3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide has a molecular weight of 411.42 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide is sourced from PubChem (CID 24514993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).