methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate

C15H18N2O4 — CID 43074352

IUPACmethyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C15H18N2O4/c1-10(13(18)17-15(2,3)14(19)20-4)21-12-7-5-11(9-16)6-8-12/h5-8,10H,1-4H3,(H,17,18)
InChIKeyWBTVTJNFTSATOD-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.39
Rot. Bonds5

About methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate

methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate (PubChem CID 43074352) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate
PubChem CID43074352
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C15H18N2O4/c1-10(13(18)17-15(2,3)14(19)20-4)21-12-7-5-11(9-16)6-8-12/h5-8,10H,1-4H3,(H,17,18)
InChIKeyWBTVTJNFTSATOD-UHFFFAOYSA-N
XLogP1.39
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8855456
2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
CID 51183672
4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
methyl 2-[2-(4-cyanophenoxy)propanoylamino]-3-methylpentanoate
CID 78771684
2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid
CID 61261172
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315312
2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide
CID 47458561
(2S)-2-[2-(4-cyanophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136472
2-(4-cyanophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51157171
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate (CID 43074352) is methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)C(C)Oc1ccc(C#N)cc1.
What is the InChIKey of methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate?
The InChIKey is WBTVTJNFTSATOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(13(18)17-15(2,3)14(19)20-4)21-12-7-5-11(9-16)6-8-12/h5-8,10H,1-4H3,(H,17,18).
What are the key properties of methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate?
methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate has a molecular weight of 290.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate is sourced from PubChem (CID 43074352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).