(2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide

C21H27NO2 — CID 92674586

IUPAC(2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
SMILESCc1cccc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c1
InChIInChI=1S/C21H27NO2/c1-15(2)13-20(18-10-6-5-7-11-18)22-21(23)17(4)24-19-12-8-9-16(3)14-19/h5-12,14-15,17,20H,13H2,1-4H3,(H,22,23)/t17-,20-/m1/s1
InChIKeyCMIYMCDKPIVPBG-YLJYHZDGSA-N
MW325.45 g/mol
LogP4.67
Rot. Bonds7

About (2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide

(2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide (PubChem CID 92674586) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
PubChem CID92674586
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
SMILESCc1cccc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c1
InChIInChI=1S/C21H27NO2/c1-15(2)13-20(18-10-6-5-7-11-18)22-21(23)17(4)24-19-12-8-9-16(3)14-19/h5-12,14-15,17,20H,13H2,1-4H3,(H,22,23)/t17-,20-/m1/s1
InChIKeyCMIYMCDKPIVPBG-YLJYHZDGSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
(2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 92679279
(2R)-2-(3-chlorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92679276
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92680978
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 94013029
N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
CID 65315418
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-2-yloxypropanamide
CID 94018574
N'-(2,2-diphenylacetyl)-2-(3-methylphenoxy)propanehydrazide
CID 4931348
(2S)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019584
(2S)-2-(3-methoxyphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 28574627

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide?
The IUPAC name of (2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide (CID 92674586) is (2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide.
What is the SMILES notation for (2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide?
The canonical SMILES for (2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide is Cc1cccc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c1.
What is the InChIKey of (2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide?
The InChIKey is CMIYMCDKPIVPBG-YLJYHZDGSA-N. The full InChI is InChI=1S/C21H27NO2/c1-15(2)13-20(18-10-6-5-7-11-18)22-21(23)17(4)24-19-12-8-9-16(3)14-19/h5-12,14-15,17,20H,13H2,1-4H3,(H,22,23)/t17-,20-/m1/s1.
What are the key properties of (2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide?
(2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide has a molecular weight of 325.45 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide is sourced from PubChem (CID 92674586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).