(2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C24H33NO2 — CID 100738763

IUPAC(2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C24H33NO2/c1-8-22(20-11-10-17(5)18(6)14-20)25-24(26)19(7)27-23-13-16(4)9-12-21(23)15(2)3/h9-15,19,22H,8H2,1-7H3,(H,25,26)/t19-,22+/m0/s1
InChIKeyNIEKAPPMIOBGRE-SIKLNZKXSA-N
MW367.53 g/mol
LogP5.77
Rot. Bonds7

About (2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

(2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 100738763) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID100738763
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C24H33NO2/c1-8-22(20-11-10-17(5)18(6)14-20)25-24(26)19(7)27-23-13-16(4)9-12-21(23)15(2)3/h9-15,19,22H,8H2,1-7H3,(H,25,26)/t19-,22+/m0/s1
InChIKeyNIEKAPPMIOBGRE-SIKLNZKXSA-N
XLogP5.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 17328405
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133201746
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100724187
(2R)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 92675499
(2R)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 92675498
2-(2,4-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133178453
N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132652272
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160250
2-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]butanoic acid
CID 119223242
2-(3,4-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]propanamide
CID 132652018
(2R)-N-[(2R)-3-methylbutan-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100572381
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 133160157

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 100738763) is (2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(C)c(C)c1.
What is the InChIKey of (2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is NIEKAPPMIOBGRE-SIKLNZKXSA-N. The full InChI is InChI=1S/C24H33NO2/c1-8-22(20-11-10-17(5)18(6)14-20)25-24(26)19(7)27-23-13-16(4)9-12-21(23)15(2)3/h9-15,19,22H,8H2,1-7H3,(H,25,26)/t19-,22+/m0/s1.
What are the key properties of (2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
(2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 367.53 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 100738763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).