ethane;4-ethyl-N-hydroxybenzamide

C11H17NO2 — CID 142831550

IUPACethane;4-ethyl-N-hydroxybenzamide
SMILESCC.CCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C9H11NO2.C2H6/c1-2-7-3-5-8(6-4-7)9(11)10-12;1-2/h3-6,12H,2H2,1H3,(H,10,11);1-2H3
InChIKeyJQTNOVJCDXEINW-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.39
Rot. Bonds2

About ethane;4-ethyl-N-hydroxybenzamide

ethane;4-ethyl-N-hydroxybenzamide (PubChem CID 142831550) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethane;4-ethyl-N-hydroxybenzamide.

Molecular Properties

Compound Nameethane;4-ethyl-N-hydroxybenzamide
PubChem CID142831550
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethane;4-ethyl-N-hydroxybenzamide
SMILESCC.CCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C9H11NO2.C2H6/c1-2-7-3-5-8(6-4-7)9(11)10-12;1-2/h3-6,12H,2H2,1H3,(H,10,11);1-2H3
InChIKeyJQTNOVJCDXEINW-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-ethyl-N-propylbenzamide
CID 142831348
4-ethyl-N-ethylsulfonylbenzamide
CID 70247799
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N-(dimethylsulfamoyl)-4-ethylbenzamide
CID 47363017
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
1,4-diethylbenzene;ethane;methane
CID 166131756
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438
4-ethylbenzoyl iodide
CID 89147367
[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
CID 87544855
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870
N-(2-chloroprop-2-enyl)-4-ethylbenzamide
CID 115636471

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-N-hydroxybenzamide?
The IUPAC name of ethane;4-ethyl-N-hydroxybenzamide (CID 142831550) is ethane;4-ethyl-N-hydroxybenzamide.
What is the SMILES notation for ethane;4-ethyl-N-hydroxybenzamide?
The canonical SMILES for ethane;4-ethyl-N-hydroxybenzamide is CC.CCc1ccc(C(=O)NO)cc1.
What is the InChIKey of ethane;4-ethyl-N-hydroxybenzamide?
The InChIKey is JQTNOVJCDXEINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C2H6/c1-2-7-3-5-8(6-4-7)9(11)10-12;1-2/h3-6,12H,2H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;4-ethyl-N-hydroxybenzamide?
ethane;4-ethyl-N-hydroxybenzamide has a molecular weight of 195.26 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-N-hydroxybenzamide is sourced from PubChem (CID 142831550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).