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

C14H18ClNO3 — CID 2370631

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCC(C)CNC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-10(2)8-16-13(17)9-19-14(18)7-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,17)
InChIKeyZHGAGZSUDYUIMZ-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.20
Rot. Bonds6

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

[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2370631) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID2370631
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCC(C)CNC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-10(2)8-16-13(17)9-19-14(18)7-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,17)
InChIKeyZHGAGZSUDYUIMZ-UHFFFAOYSA-N
XLogP2.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 2370631) is [2-(2-methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is CC(C)CNC(=O)COC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is ZHGAGZSUDYUIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10(2)8-16-13(17)9-19-14(18)7-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,17).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 283.75 g/mol, XLogP of 2.20, 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-(4-chlorophenyl)acetate is sourced from PubChem (CID 2370631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).