[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate

C21H23NO4 — CID 16523743

IUPAC[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)NCC1CCCO1
InChIInChI=1S/C21H23NO4/c23-19(22-14-18-12-7-13-25-18)15-26-21(24)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18,20H,7,12-15H2,(H,22,23)
InChIKeyOBMGZSHHGXBMIK-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.66
Rot. Bonds7

About [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate (PubChem CID 16523743) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate
PubChem CID16523743
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)NCC1CCCO1
InChIInChI=1S/C21H23NO4/c23-19(22-14-18-12-7-13-25-18)15-26-21(24)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18,20H,7,12-15H2,(H,22,23)
InChIKeyOBMGZSHHGXBMIK-UHFFFAOYSA-N
XLogP2.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 30535045
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-benzoylbenzoate
CID 2621831
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-chlorobenzoate
CID 2362816
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617283
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] naphthalene-1-carboxylate
CID 2436180
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921441
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
CID 18168438
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544
2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate (CID 16523743) is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate is O=C(COC(=O)C(c1ccccc1)c1ccccc1)NCC1CCCO1.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate?
The InChIKey is OBMGZSHHGXBMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-19(22-14-18-12-7-13-25-18)15-26-21(24)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18,20H,7,12-15H2,(H,22,23).
What are the key properties of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate?
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate has a molecular weight of 353.42 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate is sourced from PubChem (CID 16523743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).