2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide

C20H27N3O2 — CID 54357280

IUPAC2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide
SMILESCc1ccc(CCCNc2cc(CC(N)=O)ccc2OCCN)cc1
InChIInChI=1S/C20H27N3O2/c1-15-4-6-16(7-5-15)3-2-11-23-18-13-17(14-20(22)24)8-9-19(18)25-12-10-21/h4-9,13,23H,2-3,10-12,14,21H2,1H3,(H2,22,24)
InChIKeyUJZLLESJVGMTEK-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.41
Rot. Bonds10

About 2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide

2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide (PubChem CID 54357280) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide
PubChem CID54357280
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide
SMILESCc1ccc(CCCNc2cc(CC(N)=O)ccc2OCCN)cc1
InChIInChI=1S/C20H27N3O2/c1-15-4-6-16(7-5-15)3-2-11-23-18-13-17(14-20(22)24)8-9-19(18)25-12-10-21/h4-9,13,23H,2-3,10-12,14,21H2,1H3,(H2,22,24)
InChIKeyUJZLLESJVGMTEK-UHFFFAOYSA-N
XLogP2.41
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.41
H-Bond Donors ≤ 53
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-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide
CID 19797599
N'-(5-methyl-2-propoxyphenyl)propane-1,3-diamine
CID 83961727
2-[4-(2-aminoethoxy)-3-nitrophenyl]-N-[3-(3,5-dimethylphenyl)propyl]acetamide
CID 19797631
2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline
CID 83961718
2-(3-acetamido-4-ethoxyphenyl)acetamide
CID 96674142
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
CID 142219168
N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide
CID 82354281
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
CID 54801441
methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
CID 69211137
2-(2-aminoethoxy)-4-methylbenzamide
CID 62349382
2-methyl-N-[3-(4-methylphenyl)propyl]propanamide
CID 56920541
2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide
CID 66552642

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide?
The IUPAC name of 2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide (CID 54357280) is 2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide is Cc1ccc(CCCNc2cc(CC(N)=O)ccc2OCCN)cc1.
What is the InChIKey of 2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide?
The InChIKey is UJZLLESJVGMTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-4-6-16(7-5-15)3-2-11-23-18-13-17(14-20(22)24)8-9-19(18)25-12-10-21/h4-9,13,23H,2-3,10-12,14,21H2,1H3,(H2,22,24).
What are the key properties of 2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide?
2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.41, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)-3-[3-(4-methylphenyl)propylamino]phenyl]acetamide is sourced from PubChem (CID 54357280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).