N'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide

C17H24N2O4 — CID 2164338

IUPACN'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC=C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C17H24N2O4/c1-21-14-9-13(10-15(22-2)16(14)23-3)17(20)19-18-11-12-7-5-4-6-8-12/h9-11,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyKCANSDXSUOFTQG-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.79
Rot. Bonds6

About N'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide

N'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide (PubChem CID 2164338) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide
PubChem CID2164338
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC=C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C17H24N2O4/c1-21-14-9-13(10-15(22-2)16(14)23-3)17(20)19-18-11-12-7-5-4-6-8-12/h9-11,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyKCANSDXSUOFTQG-UHFFFAOYSA-N
XLogP2.79
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.79
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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Related Compounds

N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
1-cyclohexyl-3-[(3,4,5-trimethoxybenzoyl)amino]urea
CID 1358989
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1163292
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide
CID 4043294
N-ethenyl-3,4,5-trimethoxybenzamide
CID 102575963
3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide
CID 7448564
2-(3,4,5-trimethoxybenzoyl)cycloheptan-1-one
CID 154083856
N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 6723761
3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 42702287

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide (CID 2164338) is N'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNC=C2CCCCC2)cc(OC)c1OC.
What is the InChIKey of N'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide?
The InChIKey is KCANSDXSUOFTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-21-14-9-13(10-15(22-2)16(14)23-3)17(20)19-18-11-12-7-5-4-6-8-12/h9-11,18H,4-8H2,1-3H3,(H,19,20).
What are the key properties of N'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide?
N'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide has a molecular weight of 320.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 2164338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).