[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

C14H17Cl2NO3 — CID 2433513

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESCC(C)CNC(=O)COC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO3/c1-9(2)7-17-13(18)8-20-14(19)5-10-3-4-11(15)6-12(10)16/h3-4,6,9H,5,7-8H2,1-2H3,(H,17,18)
InChIKeyUNCFKUARVLWHHL-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.85
Rot. Bonds6

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

[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (PubChem CID 2433513) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
PubChem CID2433513
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESCC(C)CNC(=O)COC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO3/c1-9(2)7-17-13(18)8-20-14(19)5-10-3-4-11(15)6-12(10)16/h3-4,6,9H,5,7-8H2,1-2H3,(H,17,18)
InChIKeyUNCFKUARVLWHHL-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 7763020
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2554300
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 7762959
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 2594087
2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide
CID 113277203
[2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 2515883
[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803778
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 7604285
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 62675142
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2450474
[2-(2-methylpropylamino)-2-oxoethyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 2502080
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide
CID 60905923

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (CID 2433513) is [2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is CC(C)CNC(=O)COC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The InChIKey is UNCFKUARVLWHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-9(2)7-17-13(18)8-20-14(19)5-10-3-4-11(15)6-12(10)16/h3-4,6,9H,5,7-8H2,1-2H3,(H,17,18).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate has a molecular weight of 318.20 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 2433513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).