(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide

C20H25NO2 — CID 837680

IUPAC(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H25NO2/c1-12-7-8-18(14(3)9-12)23-17(6)20(22)21-19-15(4)10-13(2)11-16(19)5/h7-11,17H,1-6H3,(H,21,22)/t17-/m0/s1
InChIKeyHTUUJLARSMDXTQ-KRWDZBQOSA-N
MW311.43 g/mol
LogP4.63
Rot. Bonds4

About (2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide

(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 837680) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID837680
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H25NO2/c1-12-7-8-18(14(3)9-12)23-17(6)20(22)21-19-15(4)10-13(2)11-16(19)5/h7-11,17H,1-6H3,(H,21,22)/t17-/m0/s1
InChIKeyHTUUJLARSMDXTQ-KRWDZBQOSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
2-(2,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4944710
2-(2,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 6916117
(2R)-2-[2-iodo-5-methyl-3-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxyphenoxy]-N-(2,4,6-trimethylphenyl)propanamide
CID 52916896
(2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837580
(2R)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837579
(2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide
CID 1019958
2-(3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 53266252
N-(4-tert-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266783
(2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100569830
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 837584

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide (CID 837680) is (2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of (2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is HTUUJLARSMDXTQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25NO2/c1-12-7-8-18(14(3)9-12)23-17(6)20(22)21-19-15(4)10-13(2)11-16(19)5/h7-11,17H,1-6H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 837680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).