4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide

C23H36N2O3 — CID 3093891

IUPAC4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide
SMILESCCCCCC1CCC(C(=O)NNC(=O)c2ccc(OCCCC)cc2)CC1
InChIInChI=1S/C23H36N2O3/c1-3-5-7-8-18-9-11-19(12-10-18)22(26)24-25-23(27)20-13-15-21(16-14-20)28-17-6-4-2/h13-16,18-19H,3-12,17H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyNXVFYGBALITRQH-UHFFFAOYSA-N
MW388.55 g/mol
LogP5.01
Rot. Bonds10

About 4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide

4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide (PubChem CID 3093891) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is 4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide.

Molecular Properties

Compound Name4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide
PubChem CID3093891
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC Name4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide
SMILESCCCCCC1CCC(C(=O)NNC(=O)c2ccc(OCCCC)cc2)CC1
InChIInChI=1S/C23H36N2O3/c1-3-5-7-8-18-9-11-19(12-10-18)22(26)24-25-23(27)20-13-15-21(16-14-20)28-17-6-4-2/h13-16,18-19H,3-12,17H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyNXVFYGBALITRQH-UHFFFAOYSA-N
XLogP5.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[3-(4-heptylcyclohexyl)propoxy]benzoate
CID 54374946
N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide
CID 78779484
(4-dodecoxyphenyl) 4-pentylcyclohexane-1-carboxylate
CID 58240512
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947
heptyl 4-[3-(4-pentylcyclohexyl)propoxy]benzoate
CID 54434645
N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-4-hexoxybenzamide
CID 4934640
1-pentoxy-4-[3-[3-(4-pentoxyphenyl)-3-(4-pentylcyclohexyl)prop-2-enoxy]-1-(4-pentylcyclohexyl)prop-1-enyl]benzene
CID 67863522
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
[4-[3-(4-heptylcyclohexyl)propoxy]phenyl] 4-propylcyclohexane-1-carboxylate
CID 54472341
1-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890
[4-(4-pentylcyclohexyl)cyclohexyl] 4-pentoxybenzoate
CID 58019637

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide?
The IUPAC name of 4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide (CID 3093891) is 4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide.
What is the SMILES notation for 4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide?
The canonical SMILES for 4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide is CCCCCC1CCC(C(=O)NNC(=O)c2ccc(OCCCC)cc2)CC1.
What is the InChIKey of 4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide?
The InChIKey is NXVFYGBALITRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-3-5-7-8-18-9-11-19(12-10-18)22(26)24-25-23(27)20-13-15-21(16-14-20)28-17-6-4-2/h13-16,18-19H,3-12,17H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide?
4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide has a molecular weight of 388.55 g/mol, XLogP of 5.01, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide is sourced from PubChem (CID 3093891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).