N'-(4-hexylbenzoyl)furan-2-carbohydrazide

C18H22N2O3 — CID 6733621

IUPACN'-(4-hexylbenzoyl)furan-2-carbohydrazide
SMILESCCCCCCc1ccc(C(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C18H22N2O3/c1-2-3-4-5-7-14-9-11-15(12-10-14)17(21)19-20-18(22)16-8-6-13-23-16/h6,8-13H,2-5,7H2,1H3,(H,19,21)(H,20,22)
InChIKeyJKTKOLGLCFWAEP-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.48
Rot. Bonds7

About N'-(4-hexylbenzoyl)furan-2-carbohydrazide

N'-(4-hexylbenzoyl)furan-2-carbohydrazide (PubChem CID 6733621) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N'-(4-hexylbenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-hexylbenzoyl)furan-2-carbohydrazide
PubChem CID6733621
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN'-(4-hexylbenzoyl)furan-2-carbohydrazide
SMILESCCCCCCc1ccc(C(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C18H22N2O3/c1-2-3-4-5-7-14-9-11-15(12-10-14)17(21)19-20-18(22)16-8-6-13-23-16/h6,8-13H,2-5,7H2,1H3,(H,19,21)(H,20,22)
InChIKeyJKTKOLGLCFWAEP-UHFFFAOYSA-N
XLogP3.48
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.48
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

N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide
CID 6105123
N'-dodecanoyl-4-heptylbenzohydrazide
CID 3103832
[(4-hexylbenzoyl)amino]thiourea
CID 86158248
N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide
CID 11732936
[(4-pentylbenzoyl)amino]thiourea
CID 2743438
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
1-butyl-3-(furan-2-carbonylamino)urea
CID 4642065
N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide
CID 5170853
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260
N'-hydroxy-4-(4-phenylbutyl)benzohydrazide
CID 89470701
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998

Frequently Asked Questions

What is the IUPAC name of N'-(4-hexylbenzoyl)furan-2-carbohydrazide?
The IUPAC name of N'-(4-hexylbenzoyl)furan-2-carbohydrazide (CID 6733621) is N'-(4-hexylbenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(4-hexylbenzoyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(4-hexylbenzoyl)furan-2-carbohydrazide is CCCCCCc1ccc(C(=O)NNC(=O)c2ccco2)cc1.
What is the InChIKey of N'-(4-hexylbenzoyl)furan-2-carbohydrazide?
The InChIKey is JKTKOLGLCFWAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-3-4-5-7-14-9-11-15(12-10-14)17(21)19-20-18(22)16-8-6-13-23-16/h6,8-13H,2-5,7H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-hexylbenzoyl)furan-2-carbohydrazide?
N'-(4-hexylbenzoyl)furan-2-carbohydrazide has a molecular weight of 314.39 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hexylbenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 6733621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).