N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide

C21H22N2O4 — CID 9459206

IUPACN-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide
SMILESCOc1cc(C#N)ccc1O[C@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C21H22N2O4/c1-13(2)21(25)23-17-8-6-16(7-9-17)20(24)14(3)27-18-10-5-15(12-22)11-19(18)26-4/h5-11,13-14H,1-4H3,(H,23,25)/t14-/m1/s1
InChIKeyIZCLKOXHQXVAFP-CQSZACIVSA-N
MW366.42 g/mol
LogP3.81
Rot. Bonds7

About N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide

N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide (PubChem CID 9459206) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide
PubChem CID9459206
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide
SMILESCOc1cc(C#N)ccc1O[C@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C21H22N2O4/c1-13(2)21(25)23-17-8-6-16(7-9-17)20(24)14(3)27-18-10-5-15(12-22)11-19(18)26-4/h5-11,13-14H,1-4H3,(H,23,25)/t14-/m1/s1
InChIKeyIZCLKOXHQXVAFP-CQSZACIVSA-N
XLogP3.81
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxy-3-methoxybenzonitrile
CID 17401659
(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
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
CID 8978421
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385
(2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757274
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
4-[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]oxy-3-methoxybenzonitrile
CID 4804879
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 8011548
(2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 8978416
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 16511712
N-[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187934

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide (CID 9459206) is N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide is COc1cc(C#N)ccc1O[C@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide?
The InChIKey is IZCLKOXHQXVAFP-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13(2)21(25)23-17-8-6-16(7-9-17)20(24)14(3)27-18-10-5-15(12-22)11-19(18)26-4/h5-11,13-14H,1-4H3,(H,23,25)/t14-/m1/s1.
What are the key properties of N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide?
N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide has a molecular weight of 366.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 9459206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).