ethane;hexane;2-hydroxybenzamide

C15H27NO2 — CID 143703157

IUPACethane;hexane;2-hydroxybenzamide
SMILESCC.CCCCCC.NC(=O)c1ccccc1O
InChIInChI=1S/C7H7NO2.C6H14.C2H6/c8-7(10)5-3-1-2-4-6(5)9;1-3-5-6-4-2;1-2/h1-4,9H,(H2,8,10);3-6H2,1-2H3;1-2H3
InChIKeyVGBHTZXAKBNTLB-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.10
Rot. Bonds4

About ethane;hexane;2-hydroxybenzamide

ethane;hexane;2-hydroxybenzamide (PubChem CID 143703157) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is ethane;hexane;2-hydroxybenzamide.

Molecular Properties

Compound Nameethane;hexane;2-hydroxybenzamide
PubChem CID143703157
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nameethane;hexane;2-hydroxybenzamide
SMILESCC.CCCCCC.NC(=O)c1ccccc1O
InChIInChI=1S/C7H7NO2.C6H14.C2H6/c8-7(10)5-3-1-2-4-6(5)9;1-3-5-6-4-2;1-2/h1-4,9H,(H2,8,10);3-6H2,1-2H3;1-2H3
InChIKeyVGBHTZXAKBNTLB-UHFFFAOYSA-N
XLogP4.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;2-hydroxybenzamide
CID 157085280
cobalt;ethane;bis(2-hydroxybenzamide)
CID 158340960
docosane;2-hydroxybenzoic acid
CID 161423500
2-hydroxybenzamide;2-propylpentanoic acid
CID 21127409
butyl 4-hydroxybenzoate;2-hydroxybenzamide
CID 67614502
2,5-dihydroxybenzamide;octane
CID 68597102
2-octylbenzamide
CID 11148995
2-butylbenzamide
CID 15468173
icosyl 2-hydroxybenzoate
CID 19044963
hexacosyl 2-hydroxybenzoate
CID 19044965
hexyl 2-hydroxybenzoate
CID 22629
2-aminobenzamide;pentan-1-amine
CID 174724084

Frequently Asked Questions

What is the IUPAC name of ethane;hexane;2-hydroxybenzamide?
The IUPAC name of ethane;hexane;2-hydroxybenzamide (CID 143703157) is ethane;hexane;2-hydroxybenzamide.
What is the SMILES notation for ethane;hexane;2-hydroxybenzamide?
The canonical SMILES for ethane;hexane;2-hydroxybenzamide is CC.CCCCCC.NC(=O)c1ccccc1O.
What is the InChIKey of ethane;hexane;2-hydroxybenzamide?
The InChIKey is VGBHTZXAKBNTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C6H14.C2H6/c8-7(10)5-3-1-2-4-6(5)9;1-3-5-6-4-2;1-2/h1-4,9H,(H2,8,10);3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;hexane;2-hydroxybenzamide?
ethane;hexane;2-hydroxybenzamide has a molecular weight of 253.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hexane;2-hydroxybenzamide is sourced from PubChem (CID 143703157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).