[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate

C15H20Cl2N2O3 — CID 2390725

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
SMILESCC(C)N(C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N)C(C)C
InChIInChI=1S/C15H20Cl2N2O3/c1-8(2)19(9(3)4)13(20)7-22-15(21)11-5-10(16)6-12(17)14(11)18/h5-6,8-9H,7,18H2,1-4H3
InChIKeyYFVPHSMURSFMLV-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.38
Rot. Bonds5

About [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate

[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate (PubChem CID 2390725) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
PubChem CID2390725
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
SMILESCC(C)N(C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N)C(C)C
InChIInChI=1S/C15H20Cl2N2O3/c1-8(2)19(9(3)4)13(20)7-22-15(21)11-5-10(16)6-12(17)14(11)18/h5-6,8-9H,7,18H2,1-4H3
InChIKeyYFVPHSMURSFMLV-UHFFFAOYSA-N
XLogP3.38
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(Cyclopropylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2098298
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate
CID 2371630
(2-Amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate
CID 2389454
[2-[2-Cyanoethyl(methyl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2399414
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate
CID 2627495
[2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 2-amino-3,5-dichlorobenzoate
CID 3472299
(2-Morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate
CID 2086267
(2-Morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate
CID 2095375
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2371624
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate
CID 2371657
[2-[Cyclohexyl(ethyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2371659
[2-[Benzyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2372296

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate (CID 2390725) is [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate is CC(C)N(C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The InChIKey is YFVPHSMURSFMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-8(2)19(9(3)4)13(20)7-22-15(21)11-5-10(16)6-12(17)14(11)18/h5-6,8-9H,7,18H2,1-4H3.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate has a molecular weight of 347.24 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate is sourced from PubChem (CID 2390725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).