[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate

C17H24N2O4 — CID 9230002

IUPAC[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate
SMILESCC[C@H](C(=O)OCC(=O)NCC(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C17H24N2O4/c1-4-14(13-8-6-5-7-9-13)17(22)23-11-16(21)18-10-15(20)19-12(2)3/h5-9,12,14H,4,10-11H2,1-3H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyDEVQAJZGZZZSCB-AWEZNQCLSA-N
MW320.39 g/mol
LogP1.36
Rot. Bonds8

About [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate

[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate (PubChem CID 9230002) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate
PubChem CID9230002
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate
SMILESCC[C@H](C(=O)OCC(=O)NCC(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C17H24N2O4/c1-4-14(13-8-6-5-7-9-13)17(22)23-11-16(21)18-10-15(20)19-12(2)3/h5-9,12,14H,4,10-11H2,1-3H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyDEVQAJZGZZZSCB-AWEZNQCLSA-N
XLogP1.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate with MolForge

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Related Compounds

[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 9230008
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (2R)-2-phenylbutanoate
CID 9229981
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 9229972
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3,3-diphenylpropanoate
CID 9289846
[2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate
CID 7811561
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenoxypropanoate
CID 9348411
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2R)-2-phenoxypropanoate
CID 9348408
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 2566739
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 8753833
[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate
CID 2520764
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7811648
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 9229996

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate (CID 9230002) is [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate is CC[C@H](C(=O)OCC(=O)NCC(=O)NC(C)C)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate?
The InChIKey is DEVQAJZGZZZSCB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-14(13-8-6-5-7-9-13)17(22)23-11-16(21)18-10-15(20)19-12(2)3/h5-9,12,14H,4,10-11H2,1-3H3,(H,18,21)(H,19,20)/t14-/m0/s1.
What are the key properties of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate?
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate has a molecular weight of 320.39 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate is sourced from PubChem (CID 9230002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).