(2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide

C18H18N2O3 — CID 95908666

IUPAC(2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide
SMILESCN(CCOc1cccc(C#N)c1)C(=O)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-20(18(22)17(21)15-7-3-2-4-8-15)10-11-23-16-9-5-6-14(12-16)13-19/h2-9,12,17,21H,10-11H2,1H3/t17-/m0/s1
InChIKeyPQFHDLXJJRAQSV-KRWDZBQOSA-N
MW310.35 g/mol
LogP2.13
Rot. Bonds6

About (2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide

(2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide (PubChem CID 95908666) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide
PubChem CID95908666
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide
SMILESCN(CCOc1cccc(C#N)c1)C(=O)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-20(18(22)17(21)15-7-3-2-4-8-15)10-11-23-16-9-5-6-14(12-16)13-19/h2-9,12,17,21H,10-11H2,1H3/t17-/m0/s1
InChIKeyPQFHDLXJJRAQSV-KRWDZBQOSA-N
XLogP2.13
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[methyl(propan-2-yl)amino]ethoxy]benzonitrile
CID 43288705
2-(4-cyanophenoxy)-N-methyl-N-(2-phenoxyethyl)propanamide
CID 51156822
3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120132
3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 16567569
3-[[methyl(2-phenoxyethyl)amino]methyl]benzonitrile
CID 60641547
3-[2-(diethylamino)ethoxy]benzonitrile
CID 22683313
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695657
3-(2-hydroxy-3-phenoxypropoxy)benzonitrile
CID 109414644
3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile
CID 43288952
3-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 20987302
N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide
CID 33477524
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide?
The IUPAC name of (2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide (CID 95908666) is (2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide?
The canonical SMILES for (2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide is CN(CCOc1cccc(C#N)c1)C(=O)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide?
The InChIKey is PQFHDLXJJRAQSV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20(18(22)17(21)15-7-3-2-4-8-15)10-11-23-16-9-5-6-14(12-16)13-19/h2-9,12,17,21H,10-11H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide?
(2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide has a molecular weight of 310.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide is sourced from PubChem (CID 95908666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).