N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide

C18H26N2O4 — CID 24645321

IUPACN'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCC2CCCCC2)cc1OC
InChIInChI=1S/C18H26N2O4/c1-23-15-10-9-14(12-16(15)24-2)18(22)20-19-17(21)11-8-13-6-4-3-5-7-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKAXYZFMQEKWCJD-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.83
Rot. Bonds6

About N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide

N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide (PubChem CID 24645321) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide
PubChem CID24645321
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCC2CCCCC2)cc1OC
InChIInChI=1S/C18H26N2O4/c1-23-15-10-9-14(12-16(15)24-2)18(22)20-19-17(21)11-8-13-6-4-3-5-7-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKAXYZFMQEKWCJD-UHFFFAOYSA-N
XLogP2.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.83
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'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide
CID 4043294
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 4794325
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide
CID 9496167
3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
[4-(2-cyclohexylethyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 168948500
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide
CID 5418025
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide (CID 24645321) is N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)CCC2CCCCC2)cc1OC.
What is the InChIKey of N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide?
The InChIKey is KAXYZFMQEKWCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-23-15-10-9-14(12-16(15)24-2)18(22)20-19-17(21)11-8-13-6-4-3-5-7-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide?
N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide has a molecular weight of 334.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 24645321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).