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

C14H22N2O3 — CID 43600817

IUPAC2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-15-7-4-8-16-14(17)10-11-5-6-12(18-2)13(9-11)19-3/h5-6,9,15H,4,7-8,10H2,1-3H3,(H,16,17)
InChIKeyLWGFLPZYQCUNHB-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.97
Rot. Bonds8

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

2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide (PubChem CID 43600817) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
PubChem CID43600817
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-15-7-4-8-16-14(17)10-11-5-6-12(18-2)13(9-11)19-3/h5-6,9,15H,4,7-8,10H2,1-3H3,(H,16,17)
InChIKeyLWGFLPZYQCUNHB-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-[4-(4-methoxyphenyl)butyl]acetamide
CID 110288813
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
tert-butyl N-[2-[3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918803
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide
CID 102464836
2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429487
2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99609358
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide (CID 43600817) is 2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide is CNCCCNC(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide?
The InChIKey is LWGFLPZYQCUNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15-7-4-8-16-14(17)10-11-5-6-12(18-2)13(9-11)19-3/h5-6,9,15H,4,7-8,10H2,1-3H3,(H,16,17).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]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 2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide is sourced from PubChem (CID 43600817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).