4-methoxy-N-pentylbenzamide

C13H19NO2 — CID 3113360

IUPAC4-methoxy-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO2/c1-3-4-5-10-14-13(15)11-6-8-12(16-2)9-7-11/h6-9H,3-5,10H2,1-2H3,(H,14,15)
InChIKeyYHLVBYOVEHMCPI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.62
Rot. Bonds6

About 4-methoxy-N-pentylbenzamide

4-methoxy-N-pentylbenzamide (PubChem CID 3113360) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-methoxy-N-pentylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-pentylbenzamide
PubChem CID3113360
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-methoxy-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO2/c1-3-4-5-10-14-13(15)11-6-8-12(16-2)9-7-11/h6-9H,3-5,10H2,1-2H3,(H,14,15)
InChIKeyYHLVBYOVEHMCPI-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.62
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

N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
4-methoxy-N-[2-[(N'-methyl-N-pentylcarbamimidoyl)amino]ethyl]benzamide
CID 111128457
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-decyl-4-ethoxybenzamide
CID 4123784
[4-(pentylcarbamoyl)phenyl] acetate
CID 3357255
methyl 4-(heptadecylcarbamoyl)benzoate
CID 177386884
methyl 4-(hexadecylcarbamoyl)benzoate
CID 17178172
2-[(4-methoxybenzoyl)amino]ethyl-methyl-dioctylazanium iodide
CID 71506107
N-(7,7-dimethyloctyl)-4-methoxybenzamide
CID 168820142

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-pentylbenzamide?
The IUPAC name of 4-methoxy-N-pentylbenzamide (CID 3113360) is 4-methoxy-N-pentylbenzamide.
What is the SMILES notation for 4-methoxy-N-pentylbenzamide?
The canonical SMILES for 4-methoxy-N-pentylbenzamide is CCCCCNC(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-pentylbenzamide?
The InChIKey is YHLVBYOVEHMCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-4-5-10-14-13(15)11-6-8-12(16-2)9-7-11/h6-9H,3-5,10H2,1-2H3,(H,14,15).
What are the key properties of 4-methoxy-N-pentylbenzamide?
4-methoxy-N-pentylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-pentylbenzamide is sourced from PubChem (CID 3113360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).