(2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide

C22H18N2O2 — CID 9012640

IUPAC(2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@@H](Oc2ccc(C#N)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c1-16-7-11-19(12-8-16)24-22(25)21(18-5-3-2-4-6-18)26-20-13-9-17(15-23)10-14-20/h2-14,21H,1H3,(H,24,25)/t21-/m0/s1
InChIKeyBLYWXUBCFUYBLS-NRFANRHFSA-N
MW342.40 g/mol
LogP4.63
Rot. Bonds5

About (2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide

(2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide (PubChem CID 9012640) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide
PubChem CID9012640
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@@H](Oc2ccc(C#N)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c1-16-7-11-19(12-8-16)24-22(25)21(18-5-3-2-4-6-18)26-20-13-9-17(15-23)10-14-20/h2-14,21H,1H3,(H,24,25)/t21-/m0/s1
InChIKeyBLYWXUBCFUYBLS-NRFANRHFSA-N
XLogP4.63
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide
CID 4949925
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-2-(4-cyanophenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 7505945
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392111
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)-2-phenylacetamide
CID 96564594
(2R)-2-(3-cyanophenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 8537318
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
CID 8791202
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572
N-(4-cyanophenyl)-2-phenylbutanamide
CID 4632444
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
CID 7227867
[2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9393047

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide (CID 9012640) is (2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide is Cc1ccc(NC(=O)[C@@H](Oc2ccc(C#N)cc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide?
The InChIKey is BLYWXUBCFUYBLS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-16-7-11-19(12-8-16)24-22(25)21(18-5-3-2-4-6-18)26-20-13-9-17(15-23)10-14-20/h2-14,21H,1H3,(H,24,25)/t21-/m0/s1.
What are the key properties of (2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide?
(2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide has a molecular weight of 342.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 9012640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).