N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide

C14H22N2O3 — CID 119754650

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-15-10-14(17)16-8-4-5-11-6-7-12(18-2)13(9-11)19-3/h6-7,9,15H,4-5,8,10H2,1-3H3,(H,16,17)
InChIKeyWOLXUARSLSFEMB-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.97
Rot. Bonds8

About N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide

N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide (PubChem CID 119754650) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
PubChem CID119754650
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-15-10-14(17)16-8-4-5-11-6-7-12(18-2)13(9-11)19-3/h6-7,9,15H,4-5,8,10H2,1-3H3,(H,16,17)
InChIKeyWOLXUARSLSFEMB-UHFFFAOYSA-N
XLogP0.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea
CID 48559736
3-[3-(3,4-dimethoxyphenyl)propyl]-1-hydroxy-1-methylurea
CID 15675522
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,4-dimethylphenyl)acetamide
CID 100514824
2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99609358
2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 60848971
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide
CID 108949889
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide
CID 48586236
3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100603372
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
CID 110288813

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide (CID 119754650) is N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide is CNCC(=O)NCCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide?
The InChIKey is WOLXUARSLSFEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15-10-14(17)16-8-4-5-11-6-7-12(18-2)13(9-11)19-3/h6-7,9,15H,4-5,8,10H2,1-3H3,(H,16,17).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide?
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119754650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).