(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide

C15H22N2O3 — CID 8750759

IUPAC(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O3/c1-5-16-15(19)12(4)17-14(18)9-20-13-7-6-10(2)11(3)8-13/h6-8,12H,5,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKeyRHNFMMRJGWQDFX-GFCCVEGCSA-N
MW278.35 g/mol
LogP1.32
Rot. Bonds6

About (2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide

(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide (PubChem CID 8750759) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
PubChem CID8750759
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O3/c1-5-16-15(19)12(4)17-14(18)9-20-13-7-6-10(2)11(3)8-13/h6-8,12H,5,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKeyRHNFMMRJGWQDFX-GFCCVEGCSA-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

2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 17404295
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 47112875
(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 9229551
(2S)-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 8648080
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 47112988
N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
CID 120507366
methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-methylpentanoate
CID 86977054
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
(2S)-N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 8750931
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 35891231
2-(3,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326919
N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide
CID 17428422

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide (CID 8750759) is (2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide is CCNC(=O)[C@@H](C)NC(=O)COc1ccc(C)c(C)c1.
What is the InChIKey of (2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide?
The InChIKey is RHNFMMRJGWQDFX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-16-15(19)12(4)17-14(18)9-20-13-7-6-10(2)11(3)8-13/h6-8,12H,5,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide?
(2R)-2-[[2-(3,4-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 (2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 8750759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).