[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate

C16H22N2O5 — CID 9348408

IUPAC[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate
SMILESCC(C)NC(=O)CNC(=O)COC(=O)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C16H22N2O5/c1-11(2)18-14(19)9-17-15(20)10-22-16(21)12(3)23-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyYIPLBPJTRAXXQW-GFCCVEGCSA-N
MW322.36 g/mol
LogP0.64
Rot. Bonds8

About [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate

[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate (PubChem CID 9348408) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate
PubChem CID9348408
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate
SMILESCC(C)NC(=O)CNC(=O)COC(=O)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C16H22N2O5/c1-11(2)18-14(19)9-17-15(20)10-22-16(21)12(3)23-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyYIPLBPJTRAXXQW-GFCCVEGCSA-N
XLogP0.64
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate with MolForge

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Related Compounds

[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenoxypropanoate
CID 9348411
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 9348412
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 9348364
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-phenoxypropanoate
CID 8790635
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate
CID 9230002
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate
CID 8846660
[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-(4-tert-butylphenoxy)propanoate
CID 8984743
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791419
[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 8791431
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983615
[2-(1-adamantylmethylamino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833521

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate (CID 9348408) is [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate is CC(C)NC(=O)CNC(=O)COC(=O)[C@@H](C)Oc1ccccc1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate?
The InChIKey is YIPLBPJTRAXXQW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-11(2)18-14(19)9-17-15(20)10-22-16(21)12(3)23-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate?
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate has a molecular weight of 322.36 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate is sourced from PubChem (CID 9348408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).