(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide

C21H27NO2 — CID 92682866

IUPAC(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(C)cc1C
InChIInChI=1S/C21H27NO2/c1-6-19(24-20-10-8-7-9-15(20)3)21(23)22-17(5)18-12-11-14(2)13-16(18)4/h7-13,17,19H,6H2,1-5H3,(H,22,23)/t17-,19-/m0/s1
InChIKeyFQVRGOFQPOIANL-HKUYNNGSSA-N
MW325.45 g/mol
LogP4.65
Rot. Bonds6

About (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide

(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide (PubChem CID 92682866) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
PubChem CID92682866
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(C)cc1C
InChIInChI=1S/C21H27NO2/c1-6-19(24-20-10-8-7-9-15(20)3)21(23)22-17(5)18-12-11-14(2)13-16(18)4/h7-13,17,19H,6H2,1-5H3,(H,22,23)/t17-,19-/m0/s1
InChIKeyFQVRGOFQPOIANL-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

(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94020068
N-[1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 17327347
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 99132936
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 38019155
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92671756
(2S)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94011676
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 28632313
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide
CID 28564545
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133147
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
CID 53289143
2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53289006
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 26171764

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide?
The IUPAC name of (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide (CID 92682866) is (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide is CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(C)cc1C.
What is the InChIKey of (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide?
The InChIKey is FQVRGOFQPOIANL-HKUYNNGSSA-N. The full InChI is InChI=1S/C21H27NO2/c1-6-19(24-20-10-8-7-9-15(20)3)21(23)22-17(5)18-12-11-14(2)13-16(18)4/h7-13,17,19H,6H2,1-5H3,(H,22,23)/t17-,19-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide?
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)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)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 92682866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).