3-methoxy-N'-pentanoylbenzohydrazide

C13H18N2O3 — CID 3117671

IUPAC3-methoxy-N'-pentanoylbenzohydrazide
SMILESCCCCC(=O)NNC(=O)c1cccc(OC)c1
InChIInChI=1S/C13H18N2O3/c1-3-4-8-12(16)14-15-13(17)10-6-5-7-11(9-10)18-2/h5-7,9H,3-4,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyQAIWSZCXJIWYFL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.65
Rot. Bonds5

About 3-methoxy-N'-pentanoylbenzohydrazide

3-methoxy-N'-pentanoylbenzohydrazide (PubChem CID 3117671) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-methoxy-N'-pentanoylbenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-pentanoylbenzohydrazide
PubChem CID3117671
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-methoxy-N'-pentanoylbenzohydrazide
SMILESCCCCC(=O)NNC(=O)c1cccc(OC)c1
InChIInChI=1S/C13H18N2O3/c1-3-4-8-12(16)14-15-13(17)10-6-5-7-11(9-10)18-2/h5-7,9H,3-4,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyQAIWSZCXJIWYFL-UHFFFAOYSA-N
XLogP1.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N'-(2-cyanoacetyl)-3-methoxybenzohydrazide
CID 3117668
N'-(4-aminobenzoyl)-3-methoxybenzohydrazide
CID 684303
3-methyl-N'-octanoylbenzohydrazide
CID 2218282
3-methoxy-N-tridecylbenzamide
CID 139819898
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514
N-(butylideneamino)-3-methoxybenzamide
CID 4229837
3-methoxy-N-(pentylcarbamothioyl)benzamide
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N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide
CID 17139798

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-pentanoylbenzohydrazide?
The IUPAC name of 3-methoxy-N'-pentanoylbenzohydrazide (CID 3117671) is 3-methoxy-N'-pentanoylbenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-pentanoylbenzohydrazide?
The canonical SMILES for 3-methoxy-N'-pentanoylbenzohydrazide is CCCCC(=O)NNC(=O)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N'-pentanoylbenzohydrazide?
The InChIKey is QAIWSZCXJIWYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-4-8-12(16)14-15-13(17)10-6-5-7-11(9-10)18-2/h5-7,9H,3-4,8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 3-methoxy-N'-pentanoylbenzohydrazide?
3-methoxy-N'-pentanoylbenzohydrazide has a molecular weight of 250.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-pentanoylbenzohydrazide is sourced from PubChem (CID 3117671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).