N-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide

C25H24N2O3 — CID 3547082

IUPACN-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide
SMILESO=C1NC(=O)c2c(NC(=O)C34CC5CC(C3)CC(c3ccccc3)(C5)C4)cccc21
InChIInChI=1S/C25H24N2O3/c28-21-18-7-4-8-19(20(18)22(29)27-21)26-23(30)25-12-15-9-16(13-25)11-24(10-15,14-25)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2,(H,26,30)(H,27,28,29)
InChIKeySGZWTSFXCKEQJK-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.05
Rot. Bonds3

About N-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide

N-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide (PubChem CID 3547082) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide
PubChem CID3547082
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide
SMILESO=C1NC(=O)c2c(NC(=O)C34CC5CC(C3)CC(c3ccccc3)(C5)C4)cccc21
InChIInChI=1S/C25H24N2O3/c28-21-18-7-4-8-19(20(18)22(29)27-21)26-23(30)25-12-15-9-16(13-25)11-24(10-15,14-25)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2,(H,26,30)(H,27,28,29)
InChIKeySGZWTSFXCKEQJK-UHFFFAOYSA-N
XLogP4.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide 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

(5S,7S)-3-phenyladamantane-1-carboxylic acid
CID 98062703
2-[[3-(4-methoxyphenyl)adamantane-1-carbonyl]amino]benzoic acid
CID 23735496
N-(9,10-dioxoanthracen-1-yl)adamantane-1-carboxamide
CID 4034251
(1,3-dioxoisoindol-4-yl)carbamic acid
CID 69050787
(5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide
CID 98586974
(5S,7R)-N-naphthalen-1-yl-3-(4-nitrophenyl)adamantane-1-carboxamide
CID 7232433
(5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide
CID 98185678
3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 52990919
N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide
CID 52990873
3,4-dihydro-1H-isoquinolin-2-yl-(3-phenyl-1-adamantyl)methanone
CID 52990849
azepan-1-yl-[(5S,7R)-3-phenyl-1-adamantyl]methanone
CID 52510423
2-(methylamino)-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone
CID 98161313

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide (CID 3547082) is N-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide is O=C1NC(=O)c2c(NC(=O)C34CC5CC(C3)CC(c3ccccc3)(C5)C4)cccc21.
What is the InChIKey of N-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide?
The InChIKey is SGZWTSFXCKEQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-21-18-7-4-8-19(20(18)22(29)27-21)26-23(30)25-12-15-9-16(13-25)11-24(10-15,14-25)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2,(H,26,30)(H,27,28,29).
What are the key properties of N-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide?
N-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-4-yl)-3-phenyladamantane-1-carboxamide is sourced from PubChem (CID 3547082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).