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

C19H23IN2O3 — CID 4731258

IUPACN-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCN1C(=O)C2(C)CC(C)(C(=O)Nc3ccc(I)cc3)CC(C)(C2)C1=O
InChIInChI=1S/C19H23IN2O3/c1-17(14(23)21-13-7-5-12(20)6-8-13)9-18(2)11-19(3,10-17)16(25)22(4)15(18)24/h5-8H,9-11H2,1-4H3,(H,21,23)
InChIKeyZMYXSXHAVVUORC-UHFFFAOYSA-N
MW454.31 g/mol
LogP3.43
Rot. Bonds2

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

N-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 4731258) has the molecular formula C19H23IN2O3 and a molecular weight of 454.31 g/mol. Its IUPAC name is N-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID4731258
Molecular FormulaC19H23IN2O3
Molecular Weight454.31 g/mol
Exact Mass454.08
IUPAC NameN-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCN1C(=O)C2(C)CC(C)(C(=O)Nc3ccc(I)cc3)CC(C)(C2)C1=O
InChIInChI=1S/C19H23IN2O3/c1-17(14(23)21-13-7-5-12(20)6-8-13)9-18(2)11-19(3,10-17)16(25)22(4)15(18)24/h5-8H,9-11H2,1-4H3,(H,21,23)
InChIKeyZMYXSXHAVVUORC-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbonyl)amino]benzoate
CID 4731263
N-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731195
1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731167
N-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731190
N-(4-iodophenyl)acetamide
CID 12147
trans-(3S,5S)-1,3,5-trimethyl-3,5-bis(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 101246835
(1R,2S,4R)-2-bromo-N-(4-iodophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6588475
N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731178
N-(4-iodophenyl)-3,6-dimethyl-1-oxo-4H-isochromene-3-carboxamide
CID 4902937
4-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 63121506
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide
CID 78995000

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 4731258) is N-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is CN1C(=O)C2(C)CC(C)(C(=O)Nc3ccc(I)cc3)CC(C)(C2)C1=O.
What is the InChIKey of N-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is ZMYXSXHAVVUORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23IN2O3/c1-17(14(23)21-13-7-5-12(20)6-8-13)9-18(2)11-19(3,10-17)16(25)22(4)15(18)24/h5-8H,9-11H2,1-4H3,(H,21,23).
What are the key properties of N-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
N-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 454.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 4731258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).