[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

C19H19Cl2NO3 — CID 55365169

IUPAC[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESCC(c1ccccc1)N(C)C(=O)COC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO3/c1-13(14-6-4-3-5-7-14)22(2)18(23)12-25-19(24)10-15-8-9-16(20)11-17(15)21/h3-9,11,13H,10,12H2,1-2H3
InChIKeyLEVPEQMVRYCZJU-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.30
Rot. Bonds6

About [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (PubChem CID 55365169) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
PubChem CID55365169
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Name[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESCC(c1ccccc1)N(C)C(=O)COC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO3/c1-13(14-6-4-3-5-7-14)22(2)18(23)12-25-19(24)10-15-8-9-16(20)11-17(15)21/h3-9,11,13H,10,12H2,1-2H3
InChIKeyLEVPEQMVRYCZJU-UHFFFAOYSA-N
XLogP4.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 9457812
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2433513
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 7763020
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949740
2-(2,4-dichlorophenyl)-N-methoxy-N-methylacetamide
CID 18445352
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 6600431
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 8509415
2-(2,4-dichlorophenyl)-N-methylacetohydrazide
CID 116844869
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2554300
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 46810880
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 43051091

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (CID 55365169) is [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is CC(c1ccccc1)N(C)C(=O)COC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The InChIKey is LEVPEQMVRYCZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-13(14-6-4-3-5-7-14)22(2)18(23)12-25-19(24)10-15-8-9-16(20)11-17(15)21/h3-9,11,13H,10,12H2,1-2H3.
What are the key properties of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate has a molecular weight of 380.27 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 55365169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).