[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate

C22H24N2O5 — CID 8921441

IUPAC[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)NC[C@H]1CCCO1
InChIInChI=1S/C22H24N2O5/c25-20(23-13-19-7-4-12-28-19)15-29-21(26)14-24-22(27)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,23,25)(H,24,27)/t19-/m1/s1
InChIKeyJAXAJFKYMKYLMI-LJQANCHMSA-N
MW396.44 g/mol
LogP1.92
Rot. Bonds8

About [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 8921441) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID8921441
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)NC[C@H]1CCCO1
InChIInChI=1S/C22H24N2O5/c25-20(23-13-19-7-4-12-28-19)15-29-21(26)14-24-22(27)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,23,25)(H,24,27)/t19-/m1/s1
InChIKeyJAXAJFKYMKYLMI-LJQANCHMSA-N
XLogP1.92
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884918
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate
CID 16523743
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492425
N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
CID 18168438
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate
CID 51609217
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate
CID 51609216
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-benzoylbenzoate
CID 2621831
cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate
CID 7854658
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-chlorobenzoate
CID 2362816
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(2-cyanophenoxy)acetate
CID 2372728

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate (CID 8921441) is [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)NC[C@H]1CCCO1.
What is the InChIKey of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is JAXAJFKYMKYLMI-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N2O5/c25-20(23-13-19-7-4-12-28-19)15-29-21(26)14-24-22(27)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,23,25)(H,24,27)/t19-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate?
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 396.44 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 8921441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).