2-hydroxy-N-methoxy-6-pentylbenzamide

C13H19NO3 — CID 153372426

IUPAC2-hydroxy-N-methoxy-6-pentylbenzamide
SMILESCCCCCc1cccc(O)c1C(=O)NOC
InChIInChI=1S/C13H19NO3/c1-3-4-5-7-10-8-6-9-11(15)12(10)13(16)14-17-2/h6,8-9,15H,3-5,7H2,1-2H3,(H,14,16)
InChIKeyHGFUCGRKALZWEG-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.42
Rot. Bonds6

About 2-hydroxy-N-methoxy-6-pentylbenzamide

2-hydroxy-N-methoxy-6-pentylbenzamide (PubChem CID 153372426) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-hydroxy-N-methoxy-6-pentylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-methoxy-6-pentylbenzamide
PubChem CID153372426
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-hydroxy-N-methoxy-6-pentylbenzamide
SMILESCCCCCc1cccc(O)c1C(=O)NOC
InChIInChI=1S/C13H19NO3/c1-3-4-5-7-10-8-6-9-11(15)12(10)13(16)14-17-2/h6,8-9,15H,3-5,7H2,1-2H3,(H,14,16)
InChIKeyHGFUCGRKALZWEG-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-6-octylbenzoic acid
CID 14298684
2-dodecyl-6-hydroxybenzoic acid
CID 10244659
2-ethyl-2-heptyl-1-N',3-N'-bis(2-hydroxy-6-pentylbenzoyl)propanedihydrazide
CID 101307074
1-N',7-N'-bis(2-hexyl-6-hydroxybenzoyl)-2-pentylheptanedihydrazide
CID 101307134
2-heptyl-1-N',5-N'-bis(2-hexyl-6-hydroxybenzoyl)pentanedihydrazide
CID 101307126
ethyl 2-hydroxy-6-[(E)-pentadec-8-enyl]benzoate
CID 102317584
2-hydroxy-6-(12-oxoheptadecyl)benzoic acid
CID 146683504
ethyl 2-methoxy-6-pentylbenzoate
CID 15433169
acetic acid;3-pentadecylbenzene-1,2-diol
CID 67779350
2-decyl-6-methoxybenzoic acid
CID 20757679
2-butyl-1-N',7-N'-bis(2-heptyl-6-hydroxybenzoyl)-6-methylheptanedihydrazide
CID 101307290
carbonic acid;bis(2-nonylphenol)
CID 69221300

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methoxy-6-pentylbenzamide?
The IUPAC name of 2-hydroxy-N-methoxy-6-pentylbenzamide (CID 153372426) is 2-hydroxy-N-methoxy-6-pentylbenzamide.
What is the SMILES notation for 2-hydroxy-N-methoxy-6-pentylbenzamide?
The canonical SMILES for 2-hydroxy-N-methoxy-6-pentylbenzamide is CCCCCc1cccc(O)c1C(=O)NOC.
What is the InChIKey of 2-hydroxy-N-methoxy-6-pentylbenzamide?
The InChIKey is HGFUCGRKALZWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-4-5-7-10-8-6-9-11(15)12(10)13(16)14-17-2/h6,8-9,15H,3-5,7H2,1-2H3,(H,14,16).
What are the key properties of 2-hydroxy-N-methoxy-6-pentylbenzamide?
2-hydroxy-N-methoxy-6-pentylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methoxy-6-pentylbenzamide is sourced from PubChem (CID 153372426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).