[2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate

C18H26ClNO5 — CID 7684165

IUPAC[2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate
SMILESCCCNC(=O)COC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1
InChIInChI=1S/C18H26ClNO5/c1-5-7-20-16(21)11-25-18(22)13-9-14(19)17(15(10-13)23-4)24-8-6-12(2)3/h9-10,12H,5-8,11H2,1-4H3,(H,20,21)
InChIKeyFGHPIIYYAGJMDI-UHFFFAOYSA-N
MW371.86 g/mol
LogP3.46
Rot. Bonds10

About [2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate

[2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate (PubChem CID 7684165) has the molecular formula C18H26ClNO5 and a molecular weight of 371.86 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate
PubChem CID7684165
Molecular FormulaC18H26ClNO5
Molecular Weight371.86 g/mol
Exact Mass371.15
IUPAC Name[2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate
SMILESCCCNC(=O)COC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1
InChIInChI=1S/C18H26ClNO5/c1-5-7-20-16(21)11-25-18(22)13-9-14(19)17(15(10-13)23-4)24-8-6-12(2)3/h9-10,12H,5-8,11H2,1-4H3,(H,20,21)
InChIKeyFGHPIIYYAGJMDI-UHFFFAOYSA-N
XLogP3.46
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate with MolForge

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 17497937
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 7684085
[2-oxo-2-(propylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 2572054
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-methoxybenzoate
CID 7952401
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 16513424
[2-(4-acetamidophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate
CID 42487122
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate
CID 55311600
[2-(2-methylpropylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 7711741
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 7810848
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 7810879
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 55311387
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 7810876

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate (CID 7684165) is [2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate is CCCNC(=O)COC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate?
The InChIKey is FGHPIIYYAGJMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO5/c1-5-7-20-16(21)11-25-18(22)13-9-14(19)17(15(10-13)23-4)24-8-6-12(2)3/h9-10,12H,5-8,11H2,1-4H3,(H,20,21).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate?
[2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate has a molecular weight of 371.86 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate is sourced from PubChem (CID 7684165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).