3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide

C16H26N2O2 — CID 103917249

IUPAC3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide
SMILESCCOc1ccccc1C(C)NCC(C)(C)C(=O)NC
InChIInChI=1S/C16H26N2O2/c1-6-20-14-10-8-7-9-13(14)12(2)18-11-16(3,4)15(19)17-5/h7-10,12,18H,6,11H2,1-5H3,(H,17,19)
InChIKeyIYWQYKYDZVCBQR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.51
Rot. Bonds7

About 3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide

3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide (PubChem CID 103917249) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide
PubChem CID103917249
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide
SMILESCCOc1ccccc1C(C)NCC(C)(C)C(=O)NC
InChIInChI=1S/C16H26N2O2/c1-6-20-14-10-8-7-9-13(14)12(2)18-11-16(3,4)15(19)17-5/h7-10,12,18H,6,11H2,1-5H3,(H,17,19)
InChIKeyIYWQYKYDZVCBQR-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460376
3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917225
ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate
CID 60812252
3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 104536098
3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 104664689
N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203001
(2R)-1-[1-(2-ethoxyphenyl)ethylamino]propan-2-ol
CID 103906642
4-[1-(2-ethoxyphenyl)ethylamino]butanamide
CID 60864453
tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate
CID 107236715
2-[1-(2-ethoxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115900155
methyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 104644838
3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116569

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide (CID 103917249) is 3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide is CCOc1ccccc1C(C)NCC(C)(C)C(=O)NC.
What is the InChIKey of 3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide?
The InChIKey is IYWQYKYDZVCBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-20-14-10-8-7-9-13(14)12(2)18-11-16(3,4)15(19)17-5/h7-10,12,18H,6,11H2,1-5H3,(H,17,19).
What are the key properties of 3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide?
3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103917249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).