2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide

C15H22N2O3 — CID 47112988

IUPAC2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)COc1c(C)cccc1C
InChIInChI=1S/C15H22N2O3/c1-5-16-15(19)12(4)17-13(18)9-20-14-10(2)7-6-8-11(14)3/h6-8,12H,5,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyLIFWXYQZMUIPBQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.32
Rot. Bonds6

About 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide

2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide (PubChem CID 47112988) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
PubChem CID47112988
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)COc1c(C)cccc1C
InChIInChI=1S/C15H22N2O3/c1-5-16-15(19)12(4)17-13(18)9-20-14-10(2)7-6-8-11(14)3/h6-8,12H,5,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyLIFWXYQZMUIPBQ-UHFFFAOYSA-N
XLogP1.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 8750931
(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 8750759
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 17404295
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 47112875
N-ethyl-2-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 112610064
2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide
CID 43575741
2-(2,6-dimethylphenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79247450
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 24683076
methyl (2R)-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 40938621
2-(2,6-dimethylphenoxy)-N-(2-ethylbutyl)acetamide
CID 115612647
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018937
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide (CID 47112988) is 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)NC(=O)COc1c(C)cccc1C.
What is the InChIKey of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide?
The InChIKey is LIFWXYQZMUIPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-16-15(19)12(4)17-13(18)9-20-14-10(2)7-6-8-11(14)3/h6-8,12H,5,9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide?
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 47112988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).