N-hexyl-4-hydroxy-3-methoxybenzamide

C14H21NO3 — CID 177108145

IUPACN-hexyl-4-hydroxy-3-methoxybenzamide
SMILESCCCCCCNC(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-3-4-5-6-9-15-14(17)11-7-8-12(16)13(10-11)18-2/h7-8,10,16H,3-6,9H2,1-2H3,(H,15,17)
InChIKeyOVKHVCWOOWTZOQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.71
Rot. Bonds7

About N-hexyl-4-hydroxy-3-methoxybenzamide

N-hexyl-4-hydroxy-3-methoxybenzamide (PubChem CID 177108145) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-hexyl-4-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-hexyl-4-hydroxy-3-methoxybenzamide
PubChem CID177108145
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-hexyl-4-hydroxy-3-methoxybenzamide
SMILESCCCCCCNC(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-3-4-5-6-9-15-14(17)11-7-8-12(16)13(10-11)18-2/h7-8,10,16H,3-6,9H2,1-2H3,(H,15,17)
InChIKeyOVKHVCWOOWTZOQ-UHFFFAOYSA-N
XLogP2.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
CID 54200792
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid
CID 68549525
4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
4-hydroxy-3-methoxybenzamide;nonane
CID 174831625
N-hexyl-3,4-dimethylbenzamide
CID 4523484
3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide
CID 139773005
5-(hexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65397075
4-methoxy-N-nonylbenzamide
CID 3557385

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-hydroxy-3-methoxybenzamide?
The IUPAC name of N-hexyl-4-hydroxy-3-methoxybenzamide (CID 177108145) is N-hexyl-4-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-hexyl-4-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-hexyl-4-hydroxy-3-methoxybenzamide is CCCCCCNC(=O)c1ccc(O)c(OC)c1.
What is the InChIKey of N-hexyl-4-hydroxy-3-methoxybenzamide?
The InChIKey is OVKHVCWOOWTZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-4-5-6-9-15-14(17)11-7-8-12(16)13(10-11)18-2/h7-8,10,16H,3-6,9H2,1-2H3,(H,15,17).
What are the key properties of N-hexyl-4-hydroxy-3-methoxybenzamide?
N-hexyl-4-hydroxy-3-methoxybenzamide has a molecular weight of 251.33 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 177108145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).