[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate

C22H26N2O4 — CID 2565014

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-22(2,3)24-21(27)23-19(25)15-28-20(26)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H2,23,24,25,27)
InChIKeyGXVFXABPYCIXJJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.38
Rot. Bonds6

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate (PubChem CID 2565014) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
PubChem CID2565014
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-22(2,3)24-21(27)23-19(25)15-28-20(26)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H2,23,24,25,27)
InChIKeyGXVFXABPYCIXJJ-UHFFFAOYSA-N
XLogP3.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate with MolForge

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Related Compounds

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795318
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544539
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate
CID 7992163
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795325
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 3386791
(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate
CID 7795395
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2511316
[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 16564461
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate
CID 55315761
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928421
benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium
CID 8000618
N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2920507

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate (CID 2565014) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate is CC(C)(C)NC(=O)NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
The InChIKey is GXVFXABPYCIXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-22(2,3)24-21(27)23-19(25)15-28-20(26)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H2,23,24,25,27).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate has a molecular weight of 382.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate is sourced from PubChem (CID 2565014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).