(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide

C21H27NO2 — CID 99133147

IUPAC(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
SMILESCC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C21H27NO2/c1-6-19(24-20-12-9-15(3)13-16(20)4)21(23)22-17(5)18-10-7-14(2)8-11-18/h7-13,17,19H,6H2,1-5H3,(H,22,23)/t17-,19-/m0/s1
InChIKeyNYTUZZFPFQZACS-HKUYNNGSSA-N
MW325.45 g/mol
LogP4.65
Rot. Bonds6

About (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide

(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide (PubChem CID 99133147) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
PubChem CID99133147
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
SMILESCC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C21H27NO2/c1-6-19(24-20-12-9-15(3)13-16(20)4)21(23)22-17(5)18-10-7-14(2)8-11-18/h7-13,17,19H,6H2,1-5H3,(H,22,23)/t17-,19-/m0/s1
InChIKeyNYTUZZFPFQZACS-HKUYNNGSSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53289006
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
CID 53289143
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide
CID 28564545
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93487474
(2S)-2-(3,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133215
(2S)-2-(2,4-dimethylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]butanamide
CID 125044572
(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132352
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide
CID 53289145
(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132269
2-(2,4-dimethylphenoxy)-N-ethylbutanamide
CID 53289122
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 92682866

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
The IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide (CID 99133147) is (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
The canonical SMILES for (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide is CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(C)cc1.
What is the InChIKey of (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
The InChIKey is NYTUZZFPFQZACS-HKUYNNGSSA-N. The full InChI is InChI=1S/C21H27NO2/c1-6-19(24-20-12-9-15(3)13-16(20)4)21(23)22-17(5)18-10-7-14(2)8-11-18/h7-13,17,19H,6H2,1-5H3,(H,22,23)/t17-,19-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide has a molecular weight of 325.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 99133147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).