2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide

C28H34N2O2 — CID 118911692

IUPAC2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCCCCCCCCCc1ccccc1COc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C28H34N2O2/c1-2-3-4-5-6-7-8-14-23-15-9-10-16-24(23)22-32-27-19-12-11-18-26(27)28(31)30-25-17-13-20-29-21-25/h9-13,15-21H,2-8,14,22H2,1H3,(H,30,31)
InChIKeySIBHEBYQQCILDU-UHFFFAOYSA-N
MW430.59 g/mol
LogP7.21
Rot. Bonds13

About 2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide

2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 118911692) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is 2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide
PubChem CID118911692
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCCCCCCCCCc1ccccc1COc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C28H34N2O2/c1-2-3-4-5-6-7-8-14-23-15-9-10-16-24(23)22-32-27-19-12-11-18-26(27)28(31)30-25-17-13-20-29-21-25/h9-13,15-21H,2-8,14,22H2,1H3,(H,30,31)
InChIKeySIBHEBYQQCILDU-UHFFFAOYSA-N
XLogP7.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
CID 118911752
2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911654
2-[(2-pentylphenyl)methoxy]benzoic acid
CID 67780957
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652
2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911656
2-(pentanoylamino)-N-pyridin-3-ylbenzamide
CID 30336770
2-[hexan-2-yloxy(phenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 130234378
2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084
4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide
CID 54682093
N-(3-acetamidophenyl)-2-butoxybenzamide
CID 17189815
2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
CID 118911706

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide (CID 118911692) is 2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide is CCCCCCCCCc1ccccc1COc1ccccc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is SIBHEBYQQCILDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-2-3-4-5-6-7-8-14-23-15-9-10-16-24(23)22-32-27-19-12-11-18-26(27)28(31)30-25-17-13-20-29-21-25/h9-13,15-21H,2-8,14,22H2,1H3,(H,30,31).
What are the key properties of 2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide has a molecular weight of 430.59 g/mol, XLogP of 7.21, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 118911692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).