(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide

C21H27NO2 — CID 94843433

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C21H27NO2/c1-13-7-9-19(11-15(13)3)17(5)22-21(23)18(6)24-20-10-8-14(2)16(4)12-20/h7-12,17-18H,1-6H3,(H,22,23)/t17-,18+/m0/s1
InChIKeyABXSXFGGMCGFNZ-ZWKOTPCHSA-N
MW325.45 g/mol
LogP4.56
Rot. Bonds5

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

(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide (PubChem CID 94843433) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide
PubChem CID94843433
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C21H27NO2/c1-13-7-9-19(11-15(13)3)17(5)22-21(23)18(6)24-20-10-8-14(2)16(4)12-20/h7-12,17-18H,1-6H3,(H,22,23)/t17-,18+/m0/s1
InChIKeyABXSXFGGMCGFNZ-ZWKOTPCHSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 94843420
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 17326587
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17326610
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 17169425
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94008271
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132655454
(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 9182040
2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133190294
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 125043996
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43906025
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide (CID 94843433) is (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide is Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide?
The InChIKey is ABXSXFGGMCGFNZ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H27NO2/c1-13-7-9-19(11-15(13)3)17(5)22-21(23)18(6)24-20-10-8-14(2)16(4)12-20/h7-12,17-18H,1-6H3,(H,22,23)/t17-,18+/m0/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide has a molecular weight of 325.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 94843433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).