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

C20H25NO3 — CID 94843715

IUPAC(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C
InChIInChI=1S/C20H25NO3/c1-13-10-11-17(14(2)12-13)15(3)21-20(22)16(4)24-19-9-7-6-8-18(19)23-5/h6-12,15-16H,1-5H3,(H,21,22)/t15-,16+/m1/s1
InChIKeyNEBYDMLNBMYJQL-CVEARBPZSA-N
MW327.42 g/mol
LogP3.96
Rot. Bonds6

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

(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide (PubChem CID 94843715) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
PubChem CID94843715
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C
InChIInChI=1S/C20H25NO3/c1-13-10-11-17(14(2)12-13)15(3)21-20(22)16(4)24-19-9-7-6-8-18(19)23-5/h6-12,15-16H,1-5H3,(H,21,22)/t15-,16+/m1/s1
InChIKeyNEBYDMLNBMYJQL-CVEARBPZSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133231101
(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
CID 94843687
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 30398925
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 93487500
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 7834441
2-(3,5-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133199746
(2R)-2-(2-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843604
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 17327709
(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94843709
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 92682866
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94843723

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide (CID 94843715) is (2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide is COc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C.
What is the InChIKey of (2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide?
The InChIKey is NEBYDMLNBMYJQL-CVEARBPZSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13-10-11-17(14(2)12-13)15(3)21-20(22)16(4)24-19-9-7-6-8-18(19)23-5/h6-12,15-16H,1-5H3,(H,21,22)/t15-,16+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide?
(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide has a molecular weight of 327.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 94843715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).