(2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide

C20H25NO2 — CID 94840107

IUPAC(2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide
SMILESCc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-14(2)18-12-11-15(3)13-19(18)23-16(4)20(22)21(5)17-9-7-6-8-10-17/h6-14,16H,1-5H3/t16-/m0/s1
InChIKeyBYYJXIZHSPSCCR-INIZCTEOSA-N
MW311.43 g/mol
LogP4.55
Rot. Bonds5

About (2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide

(2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide (PubChem CID 94840107) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide
PubChem CID94840107
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide
SMILESCc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-14(2)18-12-11-15(3)13-19(18)23-16(4)20(22)21(5)17-9-7-6-8-10-17/h6-14,16H,1-5H3/t16-/m0/s1
InChIKeyBYYJXIZHSPSCCR-INIZCTEOSA-N
XLogP4.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide 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

(2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide
CID 95990665
N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133162903
3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119190845
N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 75893243
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 2519746
2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one
CID 64866513
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 55792767
(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 98831423
2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide
CID 112786458
(2S)-N-[3-[ethylcarbamoyl(methyl)amino]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100629956
2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide
CID 43916072

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide?
The IUPAC name of (2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide (CID 94840107) is (2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide.
What is the SMILES notation for (2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide?
The canonical SMILES for (2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide is Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of (2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide?
The InChIKey is BYYJXIZHSPSCCR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14(2)18-12-11-15(3)13-19(18)23-16(4)20(22)21(5)17-9-7-6-8-10-17/h6-14,16H,1-5H3/t16-/m0/s1.
What are the key properties of (2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide?
(2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide is sourced from PubChem (CID 94840107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).