[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate

C17H22N2O6 — CID 8808985

IUPAC[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate
SMILESCCCNC(=O)[C@@H](C)NC(=O)COC(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C17H22N2O6/c1-3-8-18-17(23)12(2)19-15(21)10-25-16(22)11-24-14-6-4-13(9-20)5-7-14/h4-7,9,12H,3,8,10-11H2,1-2H3,(H,18,23)(H,19,21)/t12-/m1/s1
InChIKeyRTLYWXRTZAJMQD-GFCCVEGCSA-N
MW350.37 g/mol
LogP0.45
Rot. Bonds10

About [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate

[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate (PubChem CID 8808985) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate
PubChem CID8808985
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate
SMILESCCCNC(=O)[C@@H](C)NC(=O)COC(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C17H22N2O6/c1-3-8-18-17(23)12(2)19-15(21)10-25-16(22)11-24-14-6-4-13(9-20)5-7-14/h4-7,9,12H,3,8,10-11H2,1-2H3,(H,18,23)(H,19,21)/t12-/m1/s1
InChIKeyRTLYWXRTZAJMQD-GFCCVEGCSA-N
XLogP0.45
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate with MolForge

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Related Compounds

[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808989
2-(4-formylphenoxy)acetic acid;2-(4-formylphenoxy)-N-propylacetamide
CID 159419255
propyl 2-(4-formylphenoxy)acetate
CID 17245126
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 9197744
propan-2-yl 2-(4-formylphenoxy)acetate
CID 23274286
(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-N-propylpropanamide
CID 51578802
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808957
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(3,4-dichlorophenyl)acetate
CID 9203223
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 47112875
[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-chloropyridine-3-carboxylate
CID 9013840
4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 8733342
ethyl 4-(4-formylphenoxy)-3-oxobutanoate
CID 60643731

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate?
The IUPAC name of [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate (CID 8808985) is [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate is CCCNC(=O)[C@@H](C)NC(=O)COC(=O)COc1ccc(C=O)cc1.
What is the InChIKey of [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate?
The InChIKey is RTLYWXRTZAJMQD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-3-8-18-17(23)12(2)19-15(21)10-25-16(22)11-24-14-6-4-13(9-20)5-7-14/h4-7,9,12H,3,8,10-11H2,1-2H3,(H,18,23)(H,19,21)/t12-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate?
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate has a molecular weight of 350.37 g/mol, XLogP of 0.45, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(4-formylphenoxy)acetate is sourced from PubChem (CID 8808985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).