(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide

C20H25NO2 — CID 30398925

IUPAC(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1
InChIInChI=1S/C20H25NO2/c1-13-6-9-18(10-7-13)23-17(5)20(22)21-16(4)19-11-8-14(2)12-15(19)3/h6-12,16-17H,1-5H3,(H,21,22)/t16-,17-/m0/s1
InChIKeyHRXZFDZXUFABGT-IRXDYDNUSA-N
MW311.43 g/mol
LogP4.26
Rot. Bonds5

About (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide

(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide (PubChem CID 30398925) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
PubChem CID30398925
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1
InChIInChI=1S/C20H25NO2/c1-13-6-9-18(10-7-13)23-17(5)20(22)21-16(4)19-11-8-14(2)12-15(19)3/h6-12,16-17H,1-5H3,(H,21,22)/t16-,17-/m0/s1
InChIKeyHRXZFDZXUFABGT-IRXDYDNUSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94843709
(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
CID 94843687
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94843723
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 17327709
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130938
(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 94843715
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
2-(3,4-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]propanamide
CID 132652018
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92671756
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 133220210
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 99132936

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide (CID 30398925) is (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is HRXZFDZXUFABGT-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13-6-9-18(10-7-13)23-17(5)20(22)21-16(4)19-11-8-14(2)12-15(19)3/h6-12,16-17H,1-5H3,(H,21,22)/t16-,17-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide?
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 30398925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).