N-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide

C23H31IN2O3 — CID 23802159

IUPACN-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(C1CCCCCC1)C1CC(=O)N(c2ccc(I)cc2)C1=O
InChIInChI=1S/C23H31IN2O3/c1-23(2,3)15-21(28)25(17-8-6-4-5-7-9-17)19-14-20(27)26(22(19)29)18-12-10-16(24)11-13-18/h10-13,17,19H,4-9,14-15H2,1-3H3
InChIKeyBONMKWRNZSVVLB-UHFFFAOYSA-N
MW510.42 g/mol
LogP4.91
Rot. Bonds4

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

N-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide (PubChem CID 23802159) has the molecular formula C23H31IN2O3 and a molecular weight of 510.42 g/mol. Its IUPAC name is N-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
PubChem CID23802159
Molecular FormulaC23H31IN2O3
Molecular Weight510.42 g/mol
Exact Mass510.14
IUPAC NameN-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(C1CCCCCC1)C1CC(=O)N(c2ccc(I)cc2)C1=O
InChIInChI=1S/C23H31IN2O3/c1-23(2,3)15-21(28)25(17-8-6-4-5-7-9-17)19-14-20(27)26(22(19)29)18-12-10-16(24)11-13-18/h10-13,17,19H,4-9,14-15H2,1-3H3
InChIKeyBONMKWRNZSVVLB-UHFFFAOYSA-N
XLogP4.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.42
LogP ≤ 54.91
H-Bond Donors ≤ 50
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

N-(1-benzylpiperidin-4-yl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23971066
N-cyclopropyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3,3-dimethylbutanamide
CID 23830942
[4-[3-[cyclopropyl(3,3-dimethylbutanoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23830943
2-chloro-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 91691056
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide
CID 23915156
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexylacetamide
CID 23830804
N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23915182
N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23802161
N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23972519
N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide
CID 23943049
N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide
CID 23887026
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23772971

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide (CID 23802159) is N-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)N(C1CCCCCC1)C1CC(=O)N(c2ccc(I)cc2)C1=O.
What is the InChIKey of N-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
The InChIKey is BONMKWRNZSVVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31IN2O3/c1-23(2,3)15-21(28)25(17-8-6-4-5-7-9-17)19-14-20(27)26(22(19)29)18-12-10-16(24)11-13-18/h10-13,17,19H,4-9,14-15H2,1-3H3.
What are the key properties of N-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
N-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide has a molecular weight of 510.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 23802159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).