(2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide

C21H26N2O2 — CID 100742184

IUPAC(2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1cccc(O[C@H](C)C(=O)Nc2cccc3c2CN(C)C3)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)16-7-5-9-18(11-16)25-15(3)21(24)22-20-10-6-8-17-12-23(4)13-19(17)20/h5-11,14-15H,12-13H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeySVTYXZCFNRGOQM-OAHLLOKOSA-N
MW338.45 g/mol
LogP4.16
Rot. Bonds5

About (2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide

(2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide (PubChem CID 100742184) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide
PubChem CID100742184
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1cccc(O[C@H](C)C(=O)Nc2cccc3c2CN(C)C3)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)16-7-5-9-18(11-16)25-15(3)21(24)22-20-10-6-8-17-12-23(4)13-19(17)20/h5-11,14-15H,12-13H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeySVTYXZCFNRGOQM-OAHLLOKOSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)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-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-propan-2-ylphenoxy)propanamide
CID 120881854
N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 16794467
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
CID 55882264
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 841227
2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide
CID 110481242
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119626548
cis-(1S,3R)-3-[2-(3-propan-2-ylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120674983
2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 134007931
2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 78767912
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide (CID 100742184) is (2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide is CC(C)c1cccc(O[C@H](C)C(=O)Nc2cccc3c2CN(C)C3)c1.
What is the InChIKey of (2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide?
The InChIKey is SVTYXZCFNRGOQM-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(2)16-7-5-9-18(11-16)25-15(3)21(24)22-20-10-6-8-17-12-23(4)13-19(17)20/h5-11,14-15H,12-13H2,1-4H3,(H,22,24)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide?
(2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide has a molecular weight of 338.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 100742184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).