(2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide

C19H20N2O2 — CID 28957353

IUPAC(2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2ccc(CC#N)cc2)c1C
InChIInChI=1S/C19H20N2O2/c1-13-5-4-6-18(14(13)2)23-15(3)19(22)21-17-9-7-16(8-10-17)11-12-20/h4-10,15H,11H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyPNDMCVBWAODMFF-OAHLLOKOSA-N
MW308.38 g/mol
LogP3.78
Rot. Bonds5

About (2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide

(2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 28957353) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
PubChem CID28957353
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2ccc(CC#N)cc2)c1C
InChIInChI=1S/C19H20N2O2/c1-13-5-4-6-18(14(13)2)23-15(3)19(22)21-17-9-7-16(8-10-17)11-12-20/h4-10,15H,11H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyPNDMCVBWAODMFF-OAHLLOKOSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-(cyanomethyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94019220
N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43905153
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 99956563
N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133261993
N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 16793312
(2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 94016579
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 38013113
(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 7668733
(2S)-2-(2,3-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 38925563
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 38925558

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide (CID 28957353) is (2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide is Cc1cccc(O[C@H](C)C(=O)Nc2ccc(CC#N)cc2)c1C.
What is the InChIKey of (2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is PNDMCVBWAODMFF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-5-4-6-18(14(13)2)23-15(3)19(22)21-17-9-7-16(8-10-17)11-12-20/h4-10,15H,11H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide?
(2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 308.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 28957353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).