[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate

C22H24N2O5 — CID 8575022

IUPAC[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESCN(C(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1)C(C)(C)C#N
InChIInChI=1S/C22H24N2O5/c1-22(2,16-23)24(3)20(25)14-29-21(26)15-28-19-11-9-18(10-12-19)27-13-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3
InChIKeyRFDDGXQPBSLNGU-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.95
Rot. Bonds9

About [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate

[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (PubChem CID 8575022) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
PubChem CID8575022
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESCN(C(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1)C(C)(C)C#N
InChIInChI=1S/C22H24N2O5/c1-22(2,16-23)24(3)20(25)14-29-21(26)15-28-19-11-9-18(10-12-19)27-13-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3
InChIKeyRFDDGXQPBSLNGU-UHFFFAOYSA-N
XLogP2.95
TPSA88.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139029
N-(2-cyanopropan-2-yl)-N-methyl-2-(4-methylphenoxy)acetamide
CID 82130690
[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2599347
[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8575019
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139034
[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 24518249
2-cyano-N-methyl-N-(4-phenylmethoxyphenyl)acetamide
CID 99824506
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770411
ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate
CID 54227701
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 9200439
[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2365643
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107

Frequently Asked Questions

What is the IUPAC name of [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The IUPAC name of [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (CID 8575022) is [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.
What is the SMILES notation for [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The canonical SMILES for [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is CN(C(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1)C(C)(C)C#N.
What is the InChIKey of [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The InChIKey is RFDDGXQPBSLNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-22(2,16-23)24(3)20(25)14-29-21(26)15-28-19-11-9-18(10-12-19)27-13-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3.
What are the key properties of [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate has a molecular weight of 396.44 g/mol, XLogP of 2.95, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is sourced from PubChem (CID 8575022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).