(2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide

C19H18N2O4 — CID 7757274

IUPAC(2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
SMILESCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C19H18N2O4/c1-12(22)15-5-4-6-16(10-15)21-19(23)13(2)25-17-8-7-14(11-20)9-18(17)24-3/h4-10,13H,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyPSDRVWHVLDHBDT-CYBMUJFWSA-N
MW338.36 g/mol
LogP3.18
Rot. Bonds6

About (2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide

(2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide (PubChem CID 7757274) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
PubChem CID7757274
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
SMILESCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C19H18N2O4/c1-12(22)15-5-4-6-16(10-15)21-19(23)13(2)25-17-8-7-14(11-20)9-18(17)24-3/h4-10,13H,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyPSDRVWHVLDHBDT-CYBMUJFWSA-N
XLogP3.18
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 8978416
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide
CID 8978446
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385
(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757420
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
CID 8978421
2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
CID 17450699
N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide
CID 9459206
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 16511712
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7977779
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7977782
(2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931796

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide (CID 7757274) is (2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide is COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide?
The InChIKey is PSDRVWHVLDHBDT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12(22)15-5-4-6-16(10-15)21-19(23)13(2)25-17-8-7-14(11-20)9-18(17)24-3/h4-10,13H,1-3H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide?
(2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide has a molecular weight of 338.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide is sourced from PubChem (CID 7757274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).