[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate

C14H18ClNO4 — CID 7803778

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
SMILESCC(C)CNC(=O)COC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO4/c1-10(2)7-16-13(17)8-20-14(18)9-19-12-5-3-4-11(15)6-12/h3-6,10H,7-9H2,1-2H3,(H,16,17)
InChIKeySHHNIJGFNAHBTG-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.03
Rot. Bonds7

About [2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate

[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate (PubChem CID 7803778) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
PubChem CID7803778
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
SMILESCC(C)CNC(=O)COC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO4/c1-10(2)7-16-13(17)8-20-14(18)9-19-12-5-3-4-11(15)6-12/h3-6,10H,7-9H2,1-2H3,(H,16,17)
InChIKeySHHNIJGFNAHBTG-UHFFFAOYSA-N
XLogP2.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115701670
N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide
CID 107157608
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803716
N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide
CID 114306028
methyl 2-bromo-3-[[2-(3-chlorophenoxy)acetyl]amino]propanoate
CID 103492346
2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide
CID 62652936
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 16512644
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803923
[2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315041
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803669
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 40564745

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate (CID 7803778) is [2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate is CC(C)CNC(=O)COC(=O)COc1cccc(Cl)c1.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The InChIKey is SHHNIJGFNAHBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-10(2)7-16-13(17)8-20-14(18)9-19-12-5-3-4-11(15)6-12/h3-6,10H,7-9H2,1-2H3,(H,16,17).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate has a molecular weight of 299.75 g/mol, XLogP of 2.03, 7 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-(3-chlorophenoxy)acetate is sourced from PubChem (CID 7803778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).