(3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one

C18H23NO2 — CID 40884554

IUPAC(3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one
SMILESCC(C)O[C@@H]1C2=C(CCCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-13(2)21-18-16-11-7-6-10-15(16)17(20)19(18)12-14-8-4-3-5-9-14/h3-5,8-9,13,18H,6-7,10-12H2,1-2H3/t18-/m1/s1
InChIKeyIFUXNCVYYVXJOX-GOSISDBHSA-N
MW285.39 g/mol
LogP3.65
Rot. Bonds4

About (3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one

(3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one (PubChem CID 40884554) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one
PubChem CID40884554
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one
SMILESCC(C)O[C@@H]1C2=C(CCCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-13(2)21-18-16-11-7-6-10-15(16)17(20)19(18)12-14-8-4-3-5-9-14/h3-5,8-9,13,18H,6-7,10-12H2,1-2H3/t18-/m1/s1
InChIKeyIFUXNCVYYVXJOX-GOSISDBHSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one 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

(3R)-2-benzyl-3-methoxy-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 40938680
(3S)-3-methoxy-2-[(2R)-4-phenylbutan-2-yl]-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 28685790
(3S)-3-hydroxy-2-(2-phenylethyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 7299547
1-benzyl-4-methyl-3-methylideneazetidin-2-one
CID 12680777
2-benzyl-3-methylidene-4,5,6,7-tetrahydroisoindol-1-one
CID 11064491
1-[(4-methoxyphenyl)methyl]-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one
CID 11439021
(1R,10S)-11-benzyl-11-azatricyclo[8.2.2.02,9]tetradeca-2(9),13-dien-12-one
CID 10990036
(2S)-1-benzyl-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one
CID 26885866
1-benzyl-6-methoxypiperidin-2-one
CID 10036374
(3R)-3-hydroxy-2-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 7316341
1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one
CID 19068314
2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide
CID 110197112

Frequently Asked Questions

What is the IUPAC name of (3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one?
The IUPAC name of (3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one (CID 40884554) is (3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one.
What is the SMILES notation for (3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one?
The canonical SMILES for (3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one is CC(C)O[C@@H]1C2=C(CCCC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one?
The InChIKey is IFUXNCVYYVXJOX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)21-18-16-11-7-6-10-15(16)17(20)19(18)12-14-8-4-3-5-9-14/h3-5,8-9,13,18H,6-7,10-12H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one?
(3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one has a molecular weight of 285.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one is sourced from PubChem (CID 40884554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).