N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide

C22H23IN2O6 — CID 23803485

IUPACN-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CC(OC)OC)C2CC(=O)N(c3ccc(I)cc3)C2=O)cc1
InChIInChI=1S/C22H23IN2O6/c1-29-17-10-4-14(5-11-17)21(27)24(13-20(30-2)31-3)18-12-19(26)25(22(18)28)16-8-6-15(23)7-9-16/h4-11,18,20H,12-13H2,1-3H3
InChIKeyFKARNGMIDCZVBA-UHFFFAOYSA-N
MW538.34 g/mol
LogP2.69
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide

N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide (PubChem CID 23803485) has the molecular formula C22H23IN2O6 and a molecular weight of 538.34 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide
PubChem CID23803485
Molecular FormulaC22H23IN2O6
Molecular Weight538.34 g/mol
Exact Mass538.06
IUPAC NameN-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CC(OC)OC)C2CC(=O)N(c3ccc(I)cc3)C2=O)cc1
InChIInChI=1S/C22H23IN2O6/c1-29-17-10-4-14(5-11-17)21(27)24(13-20(30-2)31-3)18-12-19(26)25(22(18)28)16-8-6-15(23)7-9-16/h4-11,18,20H,12-13H2,1-3H3
InChIKeyFKARNGMIDCZVBA-UHFFFAOYSA-N
XLogP2.69
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 23860711
N-(2,2-dimethoxyethyl)-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-fluorobenzamide
CID 23832321
N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 23915257
N-(2,2-dimethoxyethyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23860670
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 23916633
4-methoxy-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzamide
CID 23832270
4-chloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 5145093
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 23916463
methyl 4-[3-[cyclopropanecarbonyl(2,2-dimethoxyethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23830850
[4-[3-[(4-fluorophenyl)methyl-(4-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23803473
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-3-methoxybenzamide
CID 23972466
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-4-methoxybenzamide
CID 23972483

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide (CID 23803485) is N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)N(CC(OC)OC)C2CC(=O)N(c3ccc(I)cc3)C2=O)cc1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide?
The InChIKey is FKARNGMIDCZVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23IN2O6/c1-29-17-10-4-14(5-11-17)21(27)24(13-20(30-2)31-3)18-12-19(26)25(22(18)28)16-8-6-15(23)7-9-16/h4-11,18,20H,12-13H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide?
N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide has a molecular weight of 538.34 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 23803485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).