2-(2-hexyldecoxy)benzamide

C23H39NO2 — CID 18740353

IUPAC2-(2-hexyldecoxy)benzamide
SMILESCCCCCCCCC(CCCCCC)COc1ccccc1C(N)=O
InChIInChI=1S/C23H39NO2/c1-3-5-7-9-10-12-16-20(15-11-8-6-4-2)19-26-22-18-14-13-17-21(22)23(24)25/h13-14,17-18,20H,3-12,15-16,19H2,1-2H3,(H2,24,25)
InChIKeyCMQJSECIJIYKFU-UHFFFAOYSA-N
MW361.57 g/mol
LogP6.50
Rot. Bonds16

About 2-(2-hexyldecoxy)benzamide

2-(2-hexyldecoxy)benzamide (PubChem CID 18740353) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is 2-(2-hexyldecoxy)benzamide.

Molecular Properties

Compound Name2-(2-hexyldecoxy)benzamide
PubChem CID18740353
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC Name2-(2-hexyldecoxy)benzamide
SMILESCCCCCCCCC(CCCCCC)COc1ccccc1C(N)=O
InChIInChI=1S/C23H39NO2/c1-3-5-7-9-10-12-16-20(15-11-8-6-4-2)19-26-22-18-14-13-17-21(22)23(24)25/h13-14,17-18,20H,3-12,15-16,19H2,1-2H3,(H2,24,25)
InChIKeyCMQJSECIJIYKFU-UHFFFAOYSA-N
XLogP6.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hexyldecoxy)benzamide?
The IUPAC name of 2-(2-hexyldecoxy)benzamide (CID 18740353) is 2-(2-hexyldecoxy)benzamide.
What is the SMILES notation for 2-(2-hexyldecoxy)benzamide?
The canonical SMILES for 2-(2-hexyldecoxy)benzamide is CCCCCCCCC(CCCCCC)COc1ccccc1C(N)=O.
What is the InChIKey of 2-(2-hexyldecoxy)benzamide?
The InChIKey is CMQJSECIJIYKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO2/c1-3-5-7-9-10-12-16-20(15-11-8-6-4-2)19-26-22-18-14-13-17-21(22)23(24)25/h13-14,17-18,20H,3-12,15-16,19H2,1-2H3,(H2,24,25).
What are the key properties of 2-(2-hexyldecoxy)benzamide?
2-(2-hexyldecoxy)benzamide has a molecular weight of 361.57 g/mol, XLogP of 6.50, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexyldecoxy)benzamide is sourced from PubChem (CID 18740353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).