(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide

C19H23NO2 — CID 28984413

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c1C
InChIInChI=1S/C19H23NO2/c1-13-9-8-12-18(14(13)2)22-16(4)19(21)20-15(3)17-10-6-5-7-11-17/h5-12,15-16H,1-4H3,(H,20,21)/t15-,16-/m0/s1
InChIKeyOQBDUWSGORSWMY-HOTGVXAUSA-N
MW297.40 g/mol
LogP3.95
Rot. Bonds5

About (2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide

(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 28984413) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
PubChem CID28984413
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c1C
InChIInChI=1S/C19H23NO2/c1-13-9-8-12-18(14(13)2)22-16(4)19(21)20-15(3)17-10-6-5-7-11-17/h5-12,15-16H,1-4H3,(H,20,21)/t15-,16-/m0/s1
InChIKeyOQBDUWSGORSWMY-HOTGVXAUSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 38008079
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843598
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2,3-dimethylphenoxy)propanamide
CID 133230427
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide
CID 43006891
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
(2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 94843420
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 17326587
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide (CID 28984413) is (2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide is Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c1C.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is OQBDUWSGORSWMY-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-9-8-12-18(14(13)2)22-16(4)19(21)20-15(3)17-10-6-5-7-11-17/h5-12,15-16H,1-4H3,(H,20,21)/t15-,16-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 297.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 28984413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).