3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide

C23H28N2O2 — CID 124755051

IUPAC3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
SMILESCc1cc2c(cc1C)CN(c1cccc(C(=O)NCC[C@H]3CCOC3)c1)C2
InChIInChI=1S/C23H28N2O2/c1-16-10-20-13-25(14-21(20)11-17(16)2)22-5-3-4-19(12-22)23(26)24-8-6-18-7-9-27-15-18/h3-5,10-12,18H,6-9,13-15H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyPNFOCWSAXMEAMW-SFHVURJKSA-N
MW364.49 g/mol
LogP3.98
Rot. Bonds5

About 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide

3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide (PubChem CID 124755051) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
PubChem CID124755051
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
SMILESCc1cc2c(cc1C)CN(c1cccc(C(=O)NCC[C@H]3CCOC3)c1)C2
InChIInChI=1S/C23H28N2O2/c1-16-10-20-13-25(14-21(20)11-17(16)2)22-5-3-4-19(12-22)23(26)24-8-6-18-7-9-27-15-18/h3-5,10-12,18H,6-9,13-15H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyPNFOCWSAXMEAMW-SFHVURJKSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide 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

LY-3381916
CID 132209614
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
N-Cyclopropyl-4-Methyl-3-(2'-Oxo-1',2'-Dihydrospiro[cyclopentane-1,3'-Indol]-6'-Yl)benzamide
CID 44251218
N-[4-({[(3s)-Oxolan-3-Yl]methyl}carbamoyl)phenyl]-1,3-Dihydro-2h-Isoindole-2-Carboxamide
CID 57510027
2-[4-(dimethylamino)phenyl]-6-methyl-3H-isoindol-1-one
CID 25266665
N-cyclopropyl-4-methyl-3-(2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)benzamide
CID 44250342
n-(3-Methylphenyl)-2-[4-(1-oxo-2,3-dihydro-1h-isoindol-4-yl)phenyl]acetamide
CID 5329883
N-(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-methylbenzamide
CID 973482
N-(3-Isopropoxy-propyl)-2-(2-oxo-2H-benzo[cd]indol-1-yl)-acetamide
CID 3157232
2-(2-oxo-1-benzo[cd]indolyl)-N-(2-oxolanylmethyl)acetamide
CID 2947859
3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]isoindoline-4-carboxamide
CID 3240431
N-(2,4-dimethylphenyl)-2-(3-methoxypropyl)-1,3-dioxoisoindoline-5-carboxamide
CID 4307616

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
The IUPAC name of 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide (CID 124755051) is 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide.
What is the SMILES notation for 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
The canonical SMILES for 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide is Cc1cc2c(cc1C)CN(c1cccc(C(=O)NCC[C@H]3CCOC3)c1)C2.
What is the InChIKey of 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
The InChIKey is PNFOCWSAXMEAMW-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16-10-20-13-25(14-21(20)11-17(16)2)22-5-3-4-19(12-22)23(26)24-8-6-18-7-9-27-15-18/h3-5,10-12,18H,6-9,13-15H2,1-2H3,(H,24,26)/t18-/m0/s1.
What are the key properties of 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide is sourced from PubChem (CID 124755051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).