[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate

C19H21NO3 — CID 2520764

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate
SMILESCC(C)NC(=O)COC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-14(2)20-17(21)13-23-19(22)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18H,13H2,1-2H3,(H,20,21)
InChIKeyWQZITXGMBQXYGJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.89
Rot. Bonds6

About [2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate

[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate (PubChem CID 2520764) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate
PubChem CID2520764
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate
SMILESCC(C)NC(=O)COC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-14(2)20-17(21)13-23-19(22)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18H,13H2,1-2H3,(H,20,21)
InChIKeyWQZITXGMBQXYGJ-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 2520789
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842774
[2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 8578956
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate
CID 9230002
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3,3-diphenylpropanoate
CID 9289846
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887318
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
2-methylprop-2-enyl 2,2-diphenylacetate
CID 135086240
[2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 30535045
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749921
methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate
CID 9229280
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate (CID 2520764) is [2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate is CC(C)NC(=O)COC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate?
The InChIKey is WQZITXGMBQXYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(2)20-17(21)13-23-19(22)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18H,13H2,1-2H3,(H,20,21).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate has a molecular weight of 311.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate is sourced from PubChem (CID 2520764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).