[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate

C18H24N2O4 — CID 7983674

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESCC(C)N(C(=O)COC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(C)C
InChIInChI=1S/C18H24N2O4/c1-12(2)20(13(3)4)17(21)11-23-18(22)14(5)24-16-8-6-15(10-19)7-9-16/h6-9,12-14H,11H2,1-5H3/t14-/m1/s1
InChIKeyOEKMTOGBYZCMLM-CQSZACIVSA-N
MW332.40 g/mol
LogP2.51
Rot. Bonds7

About [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate

[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate (PubChem CID 7983674) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
PubChem CID7983674
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESCC(C)N(C(=O)COC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(C)C
InChIInChI=1S/C18H24N2O4/c1-12(2)20(13(3)4)17(21)11-23-18(22)14(5)24-16-8-6-15(10-19)7-9-16/h6-9,12-14H,11H2,1-5H3/t14-/m1/s1
InChIKeyOEKMTOGBYZCMLM-CQSZACIVSA-N
XLogP2.51
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,3-dimethyl-2-oxobutyl) (2S)-2-(4-cyanophenoxy)propanoate
CID 7984032
[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984059
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 9487236
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983615
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8506017
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983820
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983654
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984107
[2-(azepan-1-yl)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984058
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8510608
[2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984171
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984318

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate (CID 7983674) is [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate is CC(C)N(C(=O)COC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The InChIKey is OEKMTOGBYZCMLM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(2)20(13(3)4)17(21)11-23-18(22)14(5)24-16-8-6-15(10-19)7-9-16/h6-9,12-14H,11H2,1-5H3/t14-/m1/s1.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate has a molecular weight of 332.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 7983674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).