3-methoxy-N-tridecylbenzamide

C21H35NO2 — CID 139819898

IUPAC3-methoxy-N-tridecylbenzamide
SMILESCCCCCCCCCCCCCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C21H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-17-22-21(23)19-15-14-16-20(18-19)24-2/h14-16,18H,3-13,17H2,1-2H3,(H,22,23)
InChIKeyGAKRQWAZEHLFFR-UHFFFAOYSA-N
MW333.52 g/mol
LogP5.74
Rot. Bonds14

About 3-methoxy-N-tridecylbenzamide

3-methoxy-N-tridecylbenzamide (PubChem CID 139819898) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 3-methoxy-N-tridecylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-tridecylbenzamide
PubChem CID139819898
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name3-methoxy-N-tridecylbenzamide
SMILESCCCCCCCCCCCCCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C21H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-17-22-21(23)19-15-14-16-20(18-19)24-2/h14-16,18H,3-13,17H2,1-2H3,(H,22,23)
InChIKeyGAKRQWAZEHLFFR-UHFFFAOYSA-N
XLogP5.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-tridecylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
3-methoxy-N-(pentylcarbamothioyl)benzamide
CID 18822983
3-methoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 18582832
nonyl 3-[(3-methoxybenzoyl)amino]propanoate
CID 91715386
[3-(pentylcarbamoyl)phenyl] acetate
CID 89122347
N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide
CID 113056954
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
3-(2-ethoxyethoxy)-N-hexadecylbenzamide
CID 17139521
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-tridecylbenzamide?
The IUPAC name of 3-methoxy-N-tridecylbenzamide (CID 139819898) is 3-methoxy-N-tridecylbenzamide.
What is the SMILES notation for 3-methoxy-N-tridecylbenzamide?
The canonical SMILES for 3-methoxy-N-tridecylbenzamide is CCCCCCCCCCCCCNC(=O)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-tridecylbenzamide?
The InChIKey is GAKRQWAZEHLFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-17-22-21(23)19-15-14-16-20(18-19)24-2/h14-16,18H,3-13,17H2,1-2H3,(H,22,23).
What are the key properties of 3-methoxy-N-tridecylbenzamide?
3-methoxy-N-tridecylbenzamide has a molecular weight of 333.52 g/mol, XLogP of 5.74, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-tridecylbenzamide is sourced from PubChem (CID 139819898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).