N'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide

C18H18N2O3 — CID 570001

IUPACN'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide
SMILESCCCCC#Cc1ccc(C(=O)NNC(=O)c2ccccc2)o1
InChIInChI=1S/C18H18N2O3/c1-2-3-4-8-11-15-12-13-16(23-15)18(22)20-19-17(21)14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4H2,1H3,(H,19,21)(H,20,22)
InChIKeyYPKFQCHHTYRSBL-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.90
Rot. Bonds4

About N'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide

N'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide (PubChem CID 570001) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide
PubChem CID570001
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide
SMILESCCCCC#Cc1ccc(C(=O)NNC(=O)c2ccccc2)o1
InChIInChI=1S/C18H18N2O3/c1-2-3-4-8-11-15-12-13-16(23-15)18(22)20-19-17(21)14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4H2,1H3,(H,19,21)(H,20,22)
InChIKeyYPKFQCHHTYRSBL-UHFFFAOYSA-N
XLogP2.90
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.90
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(5-hex-1-ynylfuran-2-carbonyl)amino]-1-methylthiourea
CID 22302452
N-hept-2-ynylbenzamide
CID 102291976
N-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide
CID 22216806
N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219874
N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide
CID 70166510
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
2-pentyl-5-(5-phenylpent-1-ynyl)furan
CID 141073846
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide
CID 134124725
N'-[2-(4-propylphenyl)acetyl]benzohydrazide
CID 134106335

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide?
The IUPAC name of N'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide (CID 570001) is N'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide is CCCCC#Cc1ccc(C(=O)NNC(=O)c2ccccc2)o1.
What is the InChIKey of N'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide?
The InChIKey is YPKFQCHHTYRSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-3-4-8-11-15-12-13-16(23-15)18(22)20-19-17(21)14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide?
N'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide has a molecular weight of 310.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide is sourced from PubChem (CID 570001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).