[2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate

C16H20ClNO4 — CID 2431382

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESCC(C)CNC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO4/c1-11(2)9-18-15(20)10-22-16(21)8-7-14(19)12-3-5-13(17)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,18,20)
InChIKeyAGOSJXSBPIOEHJ-UHFFFAOYSA-N
MW325.79 g/mol
LogP2.62
Rot. Bonds8

About [2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate

[2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate (PubChem CID 2431382) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
PubChem CID2431382
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESCC(C)CNC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO4/c1-11(2)9-18-15(20)10-22-16(21)8-7-14(19)12-3-5-13(17)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,18,20)
InChIKeyAGOSJXSBPIOEHJ-UHFFFAOYSA-N
XLogP2.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate with MolForge

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Related Compounds

[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2355125
[2-Oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2436445
[1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 4782886
2-(4-Chlorophenyl)-2-oxoethyl 2-(acetylamino)acetate
CID 1615977
2-(2-chlorophenyl)-2-oxoethyl N-(phenylacetyl)glycinate
CID 1619325
[2-(Tert-butylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2416098
[2-(Butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2432456
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2999601
[2-(3-Chlorophenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2101594
[2-(2-Methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2370631
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2387587
[2-[(2-Methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2408139

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate (CID 2431382) is [2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate is CC(C)CNC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The InChIKey is AGOSJXSBPIOEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO4/c1-11(2)9-18-15(20)10-22-16(21)8-7-14(19)12-3-5-13(17)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,18,20).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
[2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate has a molecular weight of 325.79 g/mol, XLogP of 2.62, 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] 4-(4-chlorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2431382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).