ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate

C19H25Cl2NO4 — CID 84559248

IUPACethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CN(C(=O)CCCOc1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C19H25Cl2NO4/c1-3-25-19(24)13(2)12-22(15-7-8-15)18(23)5-4-10-26-17-9-6-14(20)11-16(17)21/h6,9,11,13,15H,3-5,7-8,10,12H2,1-2H3
InChIKeyXZRNKUWSLXTKDW-UHFFFAOYSA-N
MW402.32 g/mol
LogP4.34
Rot. Bonds10

About ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate

ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate (PubChem CID 84559248) has the molecular formula C19H25Cl2NO4 and a molecular weight of 402.32 g/mol. Its IUPAC name is ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate
PubChem CID84559248
Molecular FormulaC19H25Cl2NO4
Molecular Weight402.32 g/mol
Exact Mass401.12
IUPAC Nameethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CN(C(=O)CCCOc1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C19H25Cl2NO4/c1-3-25-19(24)13(2)12-22(15-7-8-15)18(23)5-4-10-26-17-9-6-14(20)11-16(17)21/h6,9,11,13,15H,3-5,7-8,10,12H2,1-2H3
InChIKeyXZRNKUWSLXTKDW-UHFFFAOYSA-N
XLogP4.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 4181980
ethyl 3-[[4-(4-chlorophenyl)-4-oxobutanoyl]-cyclopropylamino]-2-methylpropanoate
CID 84558739
4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide
CID 25144213
4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide
CID 162432622
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
CID 52540404
ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate
CID 84559233
4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide
CID 60568779
ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
CID 62012022
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912
methyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-3-methylpentanoate
CID 112791614

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate (CID 84559248) is ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate is CCOC(=O)C(C)CN(C(=O)CCCOc1ccc(Cl)cc1Cl)C1CC1.
What is the InChIKey of ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate?
The InChIKey is XZRNKUWSLXTKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2NO4/c1-3-25-19(24)13(2)12-22(15-7-8-15)18(23)5-4-10-26-17-9-6-14(20)11-16(17)21/h6,9,11,13,15H,3-5,7-8,10,12H2,1-2H3.
What are the key properties of ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate?
ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate has a molecular weight of 402.32 g/mol, XLogP of 4.34, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate is sourced from PubChem (CID 84559248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).