2-methoxy-N-tridecylbenzamide

C21H35NO2 — CID 139819873

IUPAC2-methoxy-N-tridecylbenzamide
SMILESCCCCCCCCCCCCCNC(=O)c1ccccc1OC
InChIInChI=1S/C21H35NO2/c1-3-4-5-6-7-8-9-10-11-12-15-18-22-21(23)19-16-13-14-17-20(19)24-2/h13-14,16-17H,3-12,15,18H2,1-2H3,(H,22,23)
InChIKeyKVJWVFNGBBUSKP-UHFFFAOYSA-N
MW333.52 g/mol
LogP5.74
Rot. Bonds14

About 2-methoxy-N-tridecylbenzamide

2-methoxy-N-tridecylbenzamide (PubChem CID 139819873) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 2-methoxy-N-tridecylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-tridecylbenzamide
PubChem CID139819873
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name2-methoxy-N-tridecylbenzamide
SMILESCCCCCCCCCCCCCNC(=O)c1ccccc1OC
InChIInChI=1S/C21H35NO2/c1-3-4-5-6-7-8-9-10-11-12-15-18-22-21(23)19-16-13-14-17-20(19)24-2/h13-14,16-17H,3-12,15,18H2,1-2H3,(H,22,23)
InChIKeyKVJWVFNGBBUSKP-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'}

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Related Compounds

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CID 20625360
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2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
2-bromo-3-methoxy-N-pentylbenzamide
CID 172648074
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
N-(6-aminohexyl)-2-dodecoxybenzamide
CID 10319064
N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide
CID 141337062
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-tridecylbenzamide?
The IUPAC name of 2-methoxy-N-tridecylbenzamide (CID 139819873) is 2-methoxy-N-tridecylbenzamide.
What is the SMILES notation for 2-methoxy-N-tridecylbenzamide?
The canonical SMILES for 2-methoxy-N-tridecylbenzamide is CCCCCCCCCCCCCNC(=O)c1ccccc1OC.
What is the InChIKey of 2-methoxy-N-tridecylbenzamide?
The InChIKey is KVJWVFNGBBUSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-3-4-5-6-7-8-9-10-11-12-15-18-22-21(23)19-16-13-14-17-20(19)24-2/h13-14,16-17H,3-12,15,18H2,1-2H3,(H,22,23).
What are the key properties of 2-methoxy-N-tridecylbenzamide?
2-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 2-methoxy-N-tridecylbenzamide is sourced from PubChem (CID 139819873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).