2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide

C14H19ClN2O3 — CID 17404295

IUPAC2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C14H19ClN2O3/c1-4-16-14(19)10(3)17-13(18)8-20-11-5-6-12(15)9(2)7-11/h5-7,10H,4,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYXIHYQMIQPSQRK-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.67
Rot. Bonds6

About 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide

2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide (PubChem CID 17404295) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide
PubChem CID17404295
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C14H19ClN2O3/c1-4-16-14(19)10(3)17-13(18)8-20-11-5-6-12(15)9(2)7-11/h5-7,10H,4,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYXIHYQMIQPSQRK-UHFFFAOYSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 8750759
(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 9229551
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 24683076
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 47112875
(2S,3R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964843
(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107823155
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43916161
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
methyl (2S)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoate
CID 9289599
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 47112988

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide (CID 17404295) is 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)NC(=O)COc1ccc(Cl)c(C)c1.
What is the InChIKey of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide?
The InChIKey is YXIHYQMIQPSQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-4-16-14(19)10(3)17-13(18)8-20-11-5-6-12(15)9(2)7-11/h5-7,10H,4,8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide?
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide has a molecular weight of 298.77 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 17404295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).