(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide

C21H27NO3 — CID 28574092

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C21H27NO3/c1-6-20(25-19-10-7-14(2)15(3)13-19)21(23)22-16(4)17-8-11-18(24-5)12-9-17/h7-13,16,20H,6H2,1-5H3,(H,22,23)/t16-,20+/m0/s1
InChIKeyLTUWMJMEICSBTL-OXJNMPFZSA-N
MW341.45 g/mol
LogP4.35
Rot. Bonds7

About (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide

(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide (PubChem CID 28574092) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
PubChem CID28574092
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C21H27NO3/c1-6-20(25-19-10-7-14(2)15(3)13-19)21(23)22-16(4)17-8-11-18(24-5)12-9-17/h7-13,16,20H,6H2,1-5H3,(H,22,23)/t16-,20+/m0/s1
InChIKeyLTUWMJMEICSBTL-OXJNMPFZSA-N
XLogP4.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53284470
(2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 92675573
(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
2-(3,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165649
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93487474
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 28573185
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide
CID 99132910
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 43876210
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43906025
2-(4-methoxyphenoxy)-N-(1-phenylethyl)butanamide
CID 21173396
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43875959
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 92679849

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide (CID 28574092) is (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide is CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
The InChIKey is LTUWMJMEICSBTL-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-20(25-19-10-7-14(2)15(3)13-19)21(23)22-16(4)17-8-11-18(24-5)12-9-17/h7-13,16,20H,6H2,1-5H3,(H,22,23)/t16-,20+/m0/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 28574092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).