(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide

C19H23NO2 — CID 889131

IUPAC(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C19H23NO2/c1-12-6-7-18(15(4)9-12)20-19(21)16(5)22-17-10-13(2)8-14(3)11-17/h6-11,16H,1-5H3,(H,20,21)/t16-/m0/s1
InChIKeyBCEPJTMIOKDGEJ-INIZCTEOSA-N
MW297.40 g/mol
LogP4.33
Rot. Bonds4

About (2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide

(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 889131) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
PubChem CID889131
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C19H23NO2/c1-12-6-7-18(15(4)9-12)20-19(21)16(5)22-17-10-13(2)8-14(3)11-17/h6-11,16H,1-5H3,(H,20,21)/t16-/m0/s1
InChIKeyBCEPJTMIOKDGEJ-INIZCTEOSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 53266190
N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide
CID 4931464
2-(3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 53266252
(2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 95076832
(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 40742791
(2R)-2-(3-methylphenoxy)-N-(2-methylphenyl)propanamide
CID 7028027
N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 42888911
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
(2R)-N-(2-hydroxy-4-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 92534084
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
CID 2253744

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide (CID 889131) is (2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide is Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of (2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is BCEPJTMIOKDGEJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NO2/c1-12-6-7-18(15(4)9-12)20-19(21)16(5)22-17-10-13(2)8-14(3)11-17/h6-11,16H,1-5H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide?
(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 297.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 889131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).