(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide

C19H20N2O4 — CID 8978421

IUPAC(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2OC)cc1
InChIInChI=1S/C19H20N2O4/c1-4-24-16-8-6-15(7-9-16)21-19(22)13(2)25-17-10-5-14(12-20)11-18(17)23-3/h5-11,13H,4H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeySEUPBZMJOASIJP-ZDUSSCGKSA-N
MW340.38 g/mol
LogP3.37
Rot. Bonds7

About (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide

(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide (PubChem CID 8978421) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
PubChem CID8978421
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2OC)cc1
InChIInChI=1S/C19H20N2O4/c1-4-24-16-8-6-15(7-9-16)21-19(22)13(2)25-17-10-5-14(12-20)11-18(17)23-3/h5-11,13H,4H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeySEUPBZMJOASIJP-ZDUSSCGKSA-N
XLogP3.37
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757420
4-[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxybenzonitrile
CID 7757535
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385
(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7992828
N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide
CID 9459206
(2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757274
(2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 8978416
ethyl (2R)-2-(4-cyano-2-methoxyphenoxy)propanoate
CID 7371866
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8855250
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 8011548
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 16511712

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide (CID 8978421) is (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2OC)cc1.
What is the InChIKey of (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is SEUPBZMJOASIJP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-4-24-16-8-6-15(7-9-16)21-19(22)13(2)25-17-10-5-14(12-20)11-18(17)23-3/h5-11,13H,4H2,1-3H3,(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide?
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 8978421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).