2-hydroxy-4-methyl-N-octylbenzamide

C16H25NO2 — CID 115568594

IUPAC2-hydroxy-4-methyl-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1ccc(C)cc1O
InChIInChI=1S/C16H25NO2/c1-3-4-5-6-7-8-11-17-16(19)14-10-9-13(2)12-15(14)18/h9-10,12,18H,3-8,11H2,1-2H3,(H,17,19)
InChIKeySCTSLAAIKBPSRP-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.79
Rot. Bonds8

About 2-hydroxy-4-methyl-N-octylbenzamide

2-hydroxy-4-methyl-N-octylbenzamide (PubChem CID 115568594) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-octylbenzamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-octylbenzamide
PubChem CID115568594
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-hydroxy-4-methyl-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1ccc(C)cc1O
InChIInChI=1S/C16H25NO2/c1-3-4-5-6-7-8-11-17-16(19)14-10-9-13(2)12-15(14)18/h9-10,12,18H,3-8,11H2,1-2H3,(H,17,19)
InChIKeySCTSLAAIKBPSRP-UHFFFAOYSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.79
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

N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide
CID 107847815
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
2-bromo-N-hexyl-5-methylbenzamide
CID 80980200
N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide
CID 62656871
[2-(hexylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581763
4-formamido-2-hydroxy-N-tetradecylbenzamide
CID 10474688
N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide
CID 77036728
2-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657497
N-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide
CID 115629353
4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040
1-[(2,4-dihydroxybenzoyl)amino]-3-octadecylurea
CID 57158847

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-octylbenzamide?
The IUPAC name of 2-hydroxy-4-methyl-N-octylbenzamide (CID 115568594) is 2-hydroxy-4-methyl-N-octylbenzamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-octylbenzamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-octylbenzamide is CCCCCCCCNC(=O)c1ccc(C)cc1O.
What is the InChIKey of 2-hydroxy-4-methyl-N-octylbenzamide?
The InChIKey is SCTSLAAIKBPSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-4-5-6-7-8-11-17-16(19)14-10-9-13(2)12-15(14)18/h9-10,12,18H,3-8,11H2,1-2H3,(H,17,19).
What are the key properties of 2-hydroxy-4-methyl-N-octylbenzamide?
2-hydroxy-4-methyl-N-octylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-N-octylbenzamide is sourced from PubChem (CID 115568594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).