N-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

C21H26N2O4 — CID 4731195

IUPACN-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2(C)CC3(C)CC(C)(C2)C(=O)N(C)C3=O)c1
InChIInChI=1S/C21H26N2O4/c1-13(24)14-7-6-8-15(9-14)22-16(25)19(2)10-20(3)12-21(4,11-19)18(27)23(5)17(20)26/h6-9H,10-12H2,1-5H3,(H,22,25)
InChIKeyQZZRVPKWESQNFZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.03
Rot. Bonds3

About N-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

N-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 4731195) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID4731195
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2(C)CC3(C)CC(C)(C2)C(=O)N(C)C3=O)c1
InChIInChI=1S/C21H26N2O4/c1-13(24)14-7-6-8-15(9-14)22-16(25)19(2)10-20(3)12-21(4,11-19)18(27)23(5)17(20)26/h6-9H,10-12H2,1-5H3,(H,22,25)
InChIKeyQZZRVPKWESQNFZ-UHFFFAOYSA-N
XLogP3.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731258
N-(3-acetylphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943623
1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983396
N-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide
CID 84580189
N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476131
1-N'-(3-acetylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982529
trans-(3S,5S)-1,3,5-trimethyl-3,5-bis(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 101246835
N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 18082486
1-N-(3-acetylphenyl)-1-N'-(2,6-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981573
3-[3-(7-carboxy-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonan-3-yl)phenyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 102140806
N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110772327
N-(3-acetylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2547789

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 4731195) is N-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is CC(=O)c1cccc(NC(=O)C2(C)CC3(C)CC(C)(C2)C(=O)N(C)C3=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is QZZRVPKWESQNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-13(24)14-7-6-8-15(9-14)22-16(25)19(2)10-20(3)12-21(4,11-19)18(27)23(5)17(20)26/h6-9H,10-12H2,1-5H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
N-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 4731195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).