[2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate

C22H24Cl2N2O6 — CID 2409832

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H24Cl2N2O6/c1-22(2,3)26-21(29)25-19(27)12-32-20(28)13-6-8-17(18(9-13)30-4)31-11-14-5-7-15(23)10-16(14)24/h5-10H,11-12H2,1-4H3,(H2,25,26,27,29)
InChIKeyDYYJHHCNIRXFOA-UHFFFAOYSA-N
MW483.35 g/mol
LogP4.36
Rot. Bonds7

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate (PubChem CID 2409832) has the molecular formula C22H24Cl2N2O6 and a molecular weight of 483.35 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate
PubChem CID2409832
Molecular FormulaC22H24Cl2N2O6
Molecular Weight483.35 g/mol
Exact Mass482.10
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H24Cl2N2O6/c1-22(2,3)26-21(29)25-19(27)12-32-20(28)13-6-8-17(18(9-13)30-4)31-11-14-5-7-15(23)10-16(14)24/h5-10H,11-12H2,1-4H3,(H2,25,26,27,29)
InChIKeyDYYJHHCNIRXFOA-UHFFFAOYSA-N
XLogP4.36
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.35
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate with MolForge

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Related Compounds

N-(tert-butylcarbamoyl)-2-(2,4-dichlorophenoxy)acetamide
CID 2640450
(4-bromophenyl)methyl 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate
CID 4031936
[3-(trifluoromethyl)phenyl]methyl 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate
CID 2409828
[2-(2-methylanilino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 42964823
[2-(2-methylpropylamino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2600417
[2-(4-acetylanilino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2119534
(2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186183
phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2454304
[2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 1191663
4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide
CID 7964266
[2-(2-cyanoethylamino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 42984687
4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide
CID 91681857

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate (CID 2409832) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate is COc1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate?
The InChIKey is DYYJHHCNIRXFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O6/c1-22(2,3)26-21(29)25-19(27)12-32-20(28)13-6-8-17(18(9-13)30-4)31-11-14-5-7-15(23)10-16(14)24/h5-10H,11-12H2,1-4H3,(H2,25,26,27,29).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate has a molecular weight of 483.35 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate is sourced from PubChem (CID 2409832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).