(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide

C22H29NO2 — CID 94018683

IUPAC(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1
InChIInChI=1S/C22H29NO2/c1-13-8-9-15(3)20(11-13)18(6)23-22(24)19(7)25-21-12-14(2)10-16(4)17(21)5/h8-12,18-19H,1-7H3,(H,23,24)/t18-,19+/m0/s1
InChIKeyGKPGGMBXKNINMO-RBUKOAKNSA-N
MW339.48 g/mol
LogP4.87
Rot. Bonds5

About (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide

(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 94018683) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID94018683
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1
InChIInChI=1S/C22H29NO2/c1-13-8-9-15(3)20(11-13)18(6)23-22(24)19(7)25-21-12-14(2)10-16(4)17(21)5/h8-12,18-19H,1-7H3,(H,23,24)/t18-,19+/m0/s1
InChIKeyGKPGGMBXKNINMO-RBUKOAKNSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843598
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 93487500
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94013055
(2R)-2-(2-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843604
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130938
(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28578729
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43885781
(2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide
CID 92683815
(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 94843715
2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133231101
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 30398925
2-(2,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4944710

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 94018683) is (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1.
What is the InChIKey of (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is GKPGGMBXKNINMO-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H29NO2/c1-13-8-9-15(3)20(11-13)18(6)23-22(24)19(7)25-21-12-14(2)10-16(4)17(21)5/h8-12,18-19H,1-7H3,(H,23,24)/t18-,19+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 339.48 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 94018683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).