methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate

C19H19Cl2NO4 — CID 55440377

IUPACmethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1
InChIInChI=1S/C19H19Cl2NO4/c1-12-3-5-13(6-4-12)16(10-19(24)25-2)22-18(23)11-26-17-8-7-14(20)9-15(17)21/h3-9,16H,10-11H2,1-2H3,(H,22,23)
InChIKeySRJDWMAQSUXURP-UHFFFAOYSA-N
MW396.27 g/mol
LogP4.10
Rot. Bonds7

About methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate

methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate (PubChem CID 55440377) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate
PubChem CID55440377
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Namemethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1
InChIInChI=1S/C19H19Cl2NO4/c1-12-3-5-13(6-4-12)16(10-19(24)25-2)22-18(23)11-26-17-8-7-14(20)9-15(17)21/h3-9,16H,10-11H2,1-2H3,(H,22,23)
InChIKeySRJDWMAQSUXURP-UHFFFAOYSA-N
XLogP4.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate with MolForge

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144310
2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328353
methyl 3-(3,4-dimethoxyphenyl)-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoate
CID 55440558
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99993791
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 99993779
methyl 3-(4-chlorophenyl)-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]propanoate
CID 55776227
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94050777
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 7865822
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 575319
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate?
The IUPAC name of methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate (CID 55440377) is methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate is COC(=O)CC(NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1.
What is the InChIKey of methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate?
The InChIKey is SRJDWMAQSUXURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c1-12-3-5-13(6-4-12)16(10-19(24)25-2)22-18(23)11-26-17-8-7-14(20)9-15(17)21/h3-9,16H,10-11H2,1-2H3,(H,22,23).
What are the key properties of methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate?
methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate has a molecular weight of 396.27 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 55440377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).