[2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate

C20H21Cl2NO4 — CID 2594087

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
SMILESCC(C)CNC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H21Cl2NO4/c1-13(2)10-23-19(24)12-27-20(25)16-5-3-4-6-18(16)26-11-14-7-8-15(21)9-17(14)22/h3-9,13H,10-12H2,1-2H3,(H,23,24)
InChIKeyZUMHYNRSWFBJAF-UHFFFAOYSA-N
MW410.30 g/mol
LogP4.50
Rot. Bonds8

About [2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate

[2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate (PubChem CID 2594087) has the molecular formula C20H21Cl2NO4 and a molecular weight of 410.30 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
PubChem CID2594087
Molecular FormulaC20H21Cl2NO4
Molecular Weight410.30 g/mol
Exact Mass409.08
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
SMILESCC(C)CNC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H21Cl2NO4/c1-13(2)10-23-19(24)12-27-20(25)16-5-3-4-6-18(16)26-11-14-7-8-15(21)9-17(14)22/h3-9,13H,10-12H2,1-2H3,(H,23,24)
InChIKeyZUMHYNRSWFBJAF-UHFFFAOYSA-N
XLogP4.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate with MolForge

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2433513
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 23822412
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 2595744
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 2367031
[2-(2-methylpropylamino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2600417
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605824
[2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327251
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221116
2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide
CID 113277203
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate
CID 7723030
2-[(2,4-dichlorophenyl)methoxy]-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 124669662
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate (CID 2594087) is [2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate is CC(C)CNC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate?
The InChIKey is ZUMHYNRSWFBJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO4/c1-13(2)10-23-19(24)12-27-20(25)16-5-3-4-6-18(16)26-11-14-7-8-15(21)9-17(14)22/h3-9,13H,10-12H2,1-2H3,(H,23,24).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate?
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate has a molecular weight of 410.30 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate is sourced from PubChem (CID 2594087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).