[2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate

C20H23NO3 — CID 2520789

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate
SMILESCC(C)CNC(=O)COC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-15(2)13-21-18(22)14-24-20(23)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,19H,13-14H2,1-2H3,(H,21,22)
InChIKeyFVHPVNQYBSXLJV-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.13
Rot. Bonds7

About [2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate

[2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate (PubChem CID 2520789) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate
PubChem CID2520789
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate
SMILESCC(C)CNC(=O)COC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-15(2)13-21-18(22)14-24-20(23)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,19H,13-14H2,1-2H3,(H,21,22)
InChIKeyFVHPVNQYBSXLJV-UHFFFAOYSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate
CID 2520764
[2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 30535045
methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate
CID 9229280
bis[2-(2-methylpropylamino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7775398
[2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 8578956
N-(2-amino-2-phenylethyl)-2-propan-2-yloxyacetamide;hydrochloride
CID 119529017
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 8821233
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582572
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2,2-diphenylacetate
CID 2520755
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 8578945
[2-(2-methylpropylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2371049
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate (CID 2520789) is [2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate is CC(C)CNC(=O)COC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate?
The InChIKey is FVHPVNQYBSXLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(2)13-21-18(22)14-24-20(23)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,19H,13-14H2,1-2H3,(H,21,22).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate?
[2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate has a molecular weight of 325.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate is sourced from PubChem (CID 2520789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).