2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide

C26H24N2O3 — CID 7480936

IUPAC2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(CN1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C1=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H24N2O3/c29-24(27-23-12-6-10-18-9-4-5-11-20(18)23)16-28-25(30)21-14-13-19(15-22(21)26(28)31)17-7-2-1-3-8-17/h1-12,19,21-22H,13-16H2,(H,27,29)/t19-,21-,22-/m1/s1
InChIKeyDSYRGPLAWPNQTK-CEMLEFRQSA-N
MW412.49 g/mol
LogP4.35
Rot. Bonds4

About 2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide

2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide (PubChem CID 7480936) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide
PubChem CID7480936
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(CN1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C1=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H24N2O3/c29-24(27-23-12-6-10-18-9-4-5-11-20(18)23)16-28-25(30)21-14-13-19(15-22(21)26(28)31)17-7-2-1-3-8-17/h1-12,19,21-22H,13-16H2,(H,27,29)/t19-,21-,22-/m1/s1
InChIKeyDSYRGPLAWPNQTK-CEMLEFRQSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide with MolForge

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Related Compounds

2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 51576091
2-(1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(3-nitrophenyl)acetamide
CID 2969778
(3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7298165
(3aR,5R,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7298164
(1R)-N-naphthalen-1-yl-2-phenylcyclobutane-1-carboxamide
CID 146488931
2-[2-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]phenyl]acetic acid
CID 119218493
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-quinolin-5-ylacetamide
CID 92863277
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-chlorophenyl)acetamide
CID 2708226
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7635407
N-naphthalen-1-yl-2-(1,1,4-trioxo-2-phenyl-2,3-dihydro-1lambda6,5-benzothiazepin-5-yl)acetamide
CID 16833364
3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-naphthalen-1-ylpropanamide
CID 50904275
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylacetamide
CID 2622589

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide (CID 7480936) is 2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide is O=C(CN1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C1=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is DSYRGPLAWPNQTK-CEMLEFRQSA-N. The full InChI is InChI=1S/C26H24N2O3/c29-24(27-23-12-6-10-18-9-4-5-11-20(18)23)16-28-25(30)21-14-13-19(15-22(21)26(28)31)17-7-2-1-3-8-17/h1-12,19,21-22H,13-16H2,(H,27,29)/t19-,21-,22-/m1/s1.
What are the key properties of 2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide?
2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 412.49 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 7480936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).