4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide

C18H29NO2 — CID 155970084

IUPAC4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide
SMILESCCc1ccc(C(=O)NCCCCCCC(C)C)c(O)c1
InChIInChI=1S/C18H29NO2/c1-4-15-10-11-16(17(20)13-15)18(21)19-12-8-6-5-7-9-14(2)3/h10-11,13-14,20H,4-9,12H2,1-3H3,(H,19,21)
InChIKeyPOKSPROCRZOYSG-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.29
Rot. Bonds9

About 4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide

4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide (PubChem CID 155970084) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide.

Molecular Properties

Compound Name4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide
PubChem CID155970084
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide
SMILESCCc1ccc(C(=O)NCCCCCCC(C)C)c(O)c1
InChIInChI=1S/C18H29NO2/c1-4-15-10-11-16(17(20)13-15)18(21)19-12-8-6-5-7-9-14(2)3/h10-11,13-14,20H,4-9,12H2,1-3H3,(H,19,21)
InChIKeyPOKSPROCRZOYSG-UHFFFAOYSA-N
XLogP4.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.29
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

4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
CID 103829717
3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
CID 115325898
2,5-dibromo-N-(7-methyloctyl)benzamide
CID 114371952
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide
CID 107818129
bis(8-methylnonyl) 4-ethylbenzene-1,2-dicarboxylate
CID 23502274
2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide
CID 115326819
5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
CID 63525308
8-[(2-hydroxy-4-propan-2-ylbenzoyl)amino]octanoic acid
CID 44538835

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide?
The IUPAC name of 4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide (CID 155970084) is 4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide.
What is the SMILES notation for 4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide?
The canonical SMILES for 4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide is CCc1ccc(C(=O)NCCCCCCC(C)C)c(O)c1.
What is the InChIKey of 4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide?
The InChIKey is POKSPROCRZOYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-15-10-11-16(17(20)13-15)18(21)19-12-8-6-5-7-9-14(2)3/h10-11,13-14,20H,4-9,12H2,1-3H3,(H,19,21).
What are the key properties of 4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide?
4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide has a molecular weight of 291.44 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide is sourced from PubChem (CID 155970084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).