[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate

C22H24N2O5 — CID 2411475

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C22H24N2O5/c1-14-9-11-15(12-10-14)19(26)16-7-5-6-8-17(16)20(27)29-13-18(25)23-21(28)24-22(2,3)4/h5-12H,13H2,1-4H3,(H2,23,24,25,28)
InChIKeyIFPYZZCDXUSAFJ-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.01
Rot. Bonds5

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (PubChem CID 2411475) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
PubChem CID2411475
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C22H24N2O5/c1-14-9-11-15(12-10-14)19(26)16-7-5-6-8-17(16)20(27)29-13-18(25)23-21(28)24-22(2,3)4/h5-12H,13H2,1-4H3,(H2,23,24,25,28)
InChIKeyIFPYZZCDXUSAFJ-UHFFFAOYSA-N
XLogP3.01
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (CID 2411475) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The InChIKey is IFPYZZCDXUSAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-14-9-11-15(12-10-14)19(26)16-7-5-6-8-17(16)20(27)29-13-18(25)23-21(28)24-22(2,3)4/h5-12H,13H2,1-4H3,(H2,23,24,25,28).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate has a molecular weight of 396.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 2411475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).