3-(3,4-dimethoxyphenyl)-N-hexylpropanamide

C17H27NO3 — CID 19220639

IUPAC3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-4-5-6-7-12-18-17(19)11-9-14-8-10-15(20-2)16(13-14)21-3/h8,10,13H,4-7,9,11-12H2,1-3H3,(H,18,19)
InChIKeyIKROZBCGOZSKKN-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.33
Rot. Bonds10

About 3-(3,4-dimethoxyphenyl)-N-hexylpropanamide

3-(3,4-dimethoxyphenyl)-N-hexylpropanamide (PubChem CID 19220639) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-hexylpropanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
PubChem CID19220639
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-4-5-6-7-12-18-17(19)11-9-14-8-10-15(20-2)16(13-14)21-3/h8,10,13H,4-7,9,11-12H2,1-3H3,(H,18,19)
InChIKeyIKROZBCGOZSKKN-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.33
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

N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide
CID 108985865
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634
4-[2-(3-methoxy-4-pentoxyphenyl)ethylamino]-4-oxobutanoate
CID 9152045
3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100603372
N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pentanamide
CID 19187738
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-hexylpropanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-hexylpropanamide (CID 19220639) is 3-(3,4-dimethoxyphenyl)-N-hexylpropanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-hexylpropanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-hexylpropanamide is CCCCCCNC(=O)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-hexylpropanamide?
The InChIKey is IKROZBCGOZSKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-5-6-7-12-18-17(19)11-9-14-8-10-15(20-2)16(13-14)21-3/h8,10,13H,4-7,9,11-12H2,1-3H3,(H,18,19).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-hexylpropanamide?
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide has a molecular weight of 293.41 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-hexylpropanamide is sourced from PubChem (CID 19220639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).