N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide

C20H20N2O2 — CID 72722563

IUPACN-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@@H](c2ccccc2)N2C(=O)c3ccccc3[C@@H]2C1
InChIInChI=1S/C20H20N2O2/c1-13(23)21-15-11-18(14-7-3-2-4-8-14)22-19(12-15)16-9-5-6-10-17(16)20(22)24/h2-10,15,18-19H,11-12H2,1H3,(H,21,23)/t15-,18+,19+/m1/s1
InChIKeyWRALPOSITSHQJN-MNEFBYGVSA-N
MW320.39 g/mol
LogP3.22
Rot. Bonds2

About N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide

N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide (PubChem CID 72722563) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide
PubChem CID72722563
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@@H](c2ccccc2)N2C(=O)c3ccccc3[C@@H]2C1
InChIInChI=1S/C20H20N2O2/c1-13(23)21-15-11-18(14-7-3-2-4-8-14)22-19(12-15)16-9-5-6-10-17(16)20(22)24/h2-10,15,18-19H,11-12H2,1H3,(H,21,23)/t15-,18+,19+/m1/s1
InChIKeyWRALPOSITSHQJN-MNEFBYGVSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide 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-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide
CID 93234150
N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 10220953
(3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 15305241
N-[(1R,3R)-3-phenylcyclohexyl]acetamide
CID 102139469
N-[(5S,7S,8aR)-5-(4-chlorophenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl]acetamide
CID 72724656
2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
CID 102165445
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
N-[(2R,3R,6S)-1-methyl-4-oxo-2,6-diphenylpiperidin-3-yl]acetamide
CID 95907396
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4252906
N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225
2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one
CID 121006099
N-(1-benzoyl-5-methylpiperidin-3-yl)acetamide
CID 112541842

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide?
The IUPAC name of N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide (CID 72722563) is N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide.
What is the SMILES notation for N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide?
The canonical SMILES for N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide is CC(=O)N[C@@H]1C[C@@H](c2ccccc2)N2C(=O)c3ccccc3[C@@H]2C1.
What is the InChIKey of N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide?
The InChIKey is WRALPOSITSHQJN-MNEFBYGVSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13(23)21-15-11-18(14-7-3-2-4-8-14)22-19(12-15)16-9-5-6-10-17(16)20(22)24/h2-10,15,18-19H,11-12H2,1H3,(H,21,23)/t15-,18+,19+/m1/s1.
What are the key properties of N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide?
N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide has a molecular weight of 320.39 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide is sourced from PubChem (CID 72722563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).