(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide

C17H27NO2 — CID 124561386

IUPAC(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)NC(C(C)C)C(C)C)c1
InChIInChI=1S/C17H27NO2/c1-11(2)16(12(3)4)18-17(19)14(6)20-15-9-7-8-13(5)10-15/h7-12,14,16H,1-6H3,(H,18,19)/t14-/m1/s1
InChIKeyYIKXNWFNOPPSJH-CQSZACIVSA-N
MW277.41 g/mol
LogP3.56
Rot. Bonds6

About (2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide

(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide (PubChem CID 124561386) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
PubChem CID124561386
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)NC(C(C)C)C(C)C)c1
InChIInChI=1S/C17H27NO2/c1-11(2)16(12(3)4)18-17(19)14(6)20-15-9-7-8-13(5)10-15/h7-12,14,16H,1-6H3,(H,18,19)/t14-/m1/s1
InChIKeyYIKXNWFNOPPSJH-CQSZACIVSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)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

N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
CID 65315418
2-(3-methylphenoxy)propanehydrazide
CID 3021693
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
CID 104981564
(2S)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(3-methylphenoxy)propanamide
CID 39967975
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671745
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671742
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide
CID 7817429

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide (CID 124561386) is (2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide is Cc1cccc(O[C@H](C)C(=O)NC(C(C)C)C(C)C)c1.
What is the InChIKey of (2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide?
The InChIKey is YIKXNWFNOPPSJH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11(2)16(12(3)4)18-17(19)14(6)20-15-9-7-8-13(5)10-15/h7-12,14,16H,1-6H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide?
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide has a molecular weight of 277.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 124561386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).