2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide

C14H22N2O2 — CID 106235235

IUPAC2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide
SMILESCc1cc(C)cc(C(C)NCCOCC(N)=O)c1
InChIInChI=1S/C14H22N2O2/c1-10-6-11(2)8-13(7-10)12(3)16-4-5-18-9-14(15)17/h6-8,12,16H,4-5,9H2,1-3H3,(H2,15,17)
InChIKeySIOIQIBNGZCRDL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.46
Rot. Bonds7

About 2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide

2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide (PubChem CID 106235235) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide
PubChem CID106235235
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide
SMILESCc1cc(C)cc(C(C)NCCOCC(N)=O)c1
InChIInChI=1S/C14H22N2O2/c1-10-6-11(2)8-13(7-10)12(3)16-4-5-18-9-14(15)17/h6-8,12,16H,4-5,9H2,1-3H3,(H2,15,17)
InChIKeySIOIQIBNGZCRDL-UHFFFAOYSA-N
XLogP1.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.46
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-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide
CID 106235231
2-[2-[1-(2,5-dimethylphenyl)ethylamino]ethoxy]acetamide
CID 106235967
2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide
CID 106236290
2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide
CID 106235133
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine
CID 107094322
2-[2-[1-(2-methoxyphenyl)ethylamino]ethoxy]acetamide
CID 106235715
ethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate
CID 103242496
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
(1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452285
2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide
CID 106237657
2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide
CID 106235256
4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid
CID 106235413

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide (CID 106235235) is 2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide is Cc1cc(C)cc(C(C)NCCOCC(N)=O)c1.
What is the InChIKey of 2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide?
The InChIKey is SIOIQIBNGZCRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-6-11(2)8-13(7-10)12(3)16-4-5-18-9-14(15)17/h6-8,12,16H,4-5,9H2,1-3H3,(H2,15,17).
What are the key properties of 2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide?
2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide is sourced from PubChem (CID 106235235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).