N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide

C19H28N2O4 — CID 9496167

IUPACN'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CCCC2CCCCC2)c1
InChIInChI=1S/C19H28N2O4/c1-24-16-11-15(12-17(13-16)25-2)19(23)21-20-18(22)10-6-9-14-7-4-3-5-8-14/h11-14H,3-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWFPDBHHDNYJLNX-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.22
Rot. Bonds7

About N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide

N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide (PubChem CID 9496167) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide
PubChem CID9496167
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CCCC2CCCCC2)c1
InChIInChI=1S/C19H28N2O4/c1-24-16-11-15(12-17(13-16)25-2)19(23)21-20-18(22)10-6-9-14-7-4-3-5-8-14/h11-14H,3-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWFPDBHHDNYJLNX-UHFFFAOYSA-N
XLogP3.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.22
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'-(4-cyclohexylbutanoyl)benzohydrazide
CID 9414897
N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108539452
N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide
CID 4043294
N'-(4-cyclohexylbutanoyl)-4-fluorobenzohydrazide
CID 9340834
N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 24645321
N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide
CID 9275952
2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone
CID 115785355
N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191583
3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
CID 17391517
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide
CID 85020035
N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide
CID 7742291

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide?
The IUPAC name of N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide (CID 9496167) is N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)CCCC2CCCCC2)c1.
What is the InChIKey of N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide?
The InChIKey is WFPDBHHDNYJLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-24-16-11-15(12-17(13-16)25-2)19(23)21-20-18(22)10-6-9-14-7-4-3-5-8-14/h11-14H,3-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide?
N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide has a molecular weight of 348.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide is sourced from PubChem (CID 9496167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).