2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide

C14H22N2O2 — CID 28574182

IUPAC2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCCc1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-9-16-14(17)11-15-10-8-12-4-6-13(18-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyAFKQQQNRYVRKJL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.35
Rot. Bonds8

About 2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide

2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide (PubChem CID 28574182) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide
PubChem CID28574182
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCCc1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-9-16-14(17)11-15-10-8-12-4-6-13(18-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyAFKQQQNRYVRKJL-UHFFFAOYSA-N
XLogP1.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997174
N-(3,3-diphenylpropyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 16658889
2-(2-methoxyethylamino)-N-[3-(4-methoxyphenyl)propyl]acetamide;hydrochloride
CID 119742175
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109000540
N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001189
2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 54814460
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
N-(2-phenylethyl)-2-(propylamino)acetamide
CID 54818782
2-[2-(4-methoxyphenyl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109001188
2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide
CID 46899391

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide (CID 28574182) is 2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide is CCCNC(=O)CNCCc1ccc(OC)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide?
The InChIKey is AFKQQQNRYVRKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-9-16-14(17)11-15-10-8-12-4-6-13(18-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide?
2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide is sourced from PubChem (CID 28574182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).