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

C18H26N2O5 — CID 4043294

IUPACN'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C18H26N2O5/c1-23-14-10-13(11-15(24-2)17(14)25-3)18(22)20-19-16(21)9-8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyNGYPNYPTAHQAPG-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.44
Rot. Bonds7

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

N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide (PubChem CID 4043294) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide
PubChem CID4043294
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC NameN'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C18H26N2O5/c1-23-14-10-13(11-15(24-2)17(14)25-3)18(22)20-19-16(21)9-8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyNGYPNYPTAHQAPG-UHFFFAOYSA-N
XLogP2.44
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.44
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'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 24645321
1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide
CID 7448564
N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide
CID 9496167
1-cyclohexyl-3-[(3,4,5-trimethoxybenzoyl)amino]urea
CID 1358989
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 9399555
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
CID 2117105
methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate
CID 10447980
1-[(1S,2R)-2-methylcyclohexyl]-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
CID 8624992
N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 4808541

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide (CID 4043294) is N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNC(=O)CCC2CCCC2)cc(OC)c1OC.
What is the InChIKey of N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide?
The InChIKey is NGYPNYPTAHQAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-23-14-10-13(11-15(24-2)17(14)25-3)18(22)20-19-16(21)9-8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide?
N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide has a molecular weight of 350.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 4043294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).