(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide

C20H16N2O2 — CID 9412867

IUPAC(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O2/c1-14(24-19-10-6-15(13-21)7-11-19)20(23)22-18-9-8-16-4-2-3-5-17(16)12-18/h2-12,14H,1H3,(H,22,23)/t14-/m0/s1
InChIKeyWROSVKFWRQCNFB-AWEZNQCLSA-N
MW316.36 g/mol
LogP4.12
Rot. Bonds4

About (2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide

(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide (PubChem CID 9412867) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
PubChem CID9412867
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O2/c1-14(24-19-10-6-15(13-21)7-11-19)20(23)22-18-9-8-16-4-2-3-5-17(16)12-18/h2-12,14H,1H3,(H,22,23)/t14-/m0/s1
InChIKeyWROSVKFWRQCNFB-AWEZNQCLSA-N
XLogP4.12
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-2-(4-methylphenoxy)-N-naphthalen-2-ylpropanamide
CID 837371
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
CID 78675814
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572
2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 110877125
2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 78769979
(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 9072191

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide?
The IUPAC name of (2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide (CID 9412867) is (2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide?
The canonical SMILES for (2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide is C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide?
The InChIKey is WROSVKFWRQCNFB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-14(24-19-10-6-15(13-21)7-11-19)20(23)22-18-9-8-16-4-2-3-5-17(16)12-18/h2-12,14H,1H3,(H,22,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide?
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide has a molecular weight of 316.36 g/mol, XLogP of 4.12, 4 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-naphthalen-2-ylpropanamide is sourced from PubChem (CID 9412867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).