(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide

C19H20N2O2 — CID 7964261

IUPAC(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)[C@H](C)Oc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H20N2O2/c1-13(2)16-7-9-17(10-8-16)21-19(22)14(3)23-18-6-4-5-15(11-18)12-20/h4-11,13-14H,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyFPLVOSZKDBYBRN-AWEZNQCLSA-N
MW308.38 g/mol
LogP4.09
Rot. Bonds5

About (2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide

(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 7964261) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID7964261
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)[C@H](C)Oc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H20N2O2/c1-13(2)16-7-9-17(10-8-16)21-19(22)14(3)23-18-6-4-5-15(11-18)12-20/h4-11,13-14H,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyFPLVOSZKDBYBRN-AWEZNQCLSA-N
XLogP4.09
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
methyl N-[4-[2-(3-cyanophenoxy)propanoylamino]phenyl]-N-methylcarbamate
CID 47727905
(2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1177364
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
CID 43176837
(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
CID 7694555
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983859
N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 16794467
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
CID 17450699
ethyl 3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8538255

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide (CID 7964261) is (2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)[C@H](C)Oc2cccc(C#N)c2)cc1.
What is the InChIKey of (2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is FPLVOSZKDBYBRN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(2)16-7-9-17(10-8-16)21-19(22)14(3)23-18-6-4-5-15(11-18)12-20/h4-11,13-14H,1-3H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide?
(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 7964261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).