(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide

C21H27NO3 — CID 92682628

IUPAC(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1
InChIInChI=1S/C21H27NO3/c1-5-19(16-10-12-17(24-4)13-11-16)22-21(23)20(6-2)25-18-9-7-8-15(3)14-18/h7-14,19-20H,5-6H2,1-4H3,(H,22,23)/t19-,20-/m1/s1
InChIKeyYRIJILJADLJFLG-WOJBJXKFSA-N
MW341.45 g/mol
LogP4.43
Rot. Bonds8

About (2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide

(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide (PubChem CID 92682628) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
PubChem CID92682628
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1
InChIInChI=1S/C21H27NO3/c1-5-19(16-10-12-17(24-4)13-11-16)22-21(23)20(6-2)25-18-9-7-8-15(3)14-18/h7-14,19-20H,5-6H2,1-4H3,(H,22,23)/t19-,20-/m1/s1
InChIKeyYRIJILJADLJFLG-WOJBJXKFSA-N
XLogP4.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 17328429
(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132381
2-(3-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)propyl]butanamide
CID 132662597
(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 94027354
2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 43916230
(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132302
(2S)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]butanamide
CID 100759702
(2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 92675573
(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide
CID 28636082
(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 100766872

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide?
The IUPAC name of (2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide (CID 92682628) is (2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide is CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1.
What is the InChIKey of (2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide?
The InChIKey is YRIJILJADLJFLG-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-19(16-10-12-17(24-4)13-11-16)22-21(23)20(6-2)25-18-9-7-8-15(3)14-18/h7-14,19-20H,5-6H2,1-4H3,(H,22,23)/t19-,20-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide?
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 92682628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).