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

C21H23IN2O4 — CID 23915182

IUPACN-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(Cc1ccco1)C1CC(=O)N(c2ccc(I)cc2)C1=O
InChIInChI=1S/C21H23IN2O4/c1-21(2,3)12-19(26)23(13-16-5-4-10-28-16)17-11-18(25)24(20(17)27)15-8-6-14(22)7-9-15/h4-10,17H,11-13H2,1-3H3
InChIKeyOELSJPNCQKIJSI-UHFFFAOYSA-N
MW494.33 g/mol
LogP3.98
Rot. Bonds5

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

N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide (PubChem CID 23915182) has the molecular formula C21H23IN2O4 and a molecular weight of 494.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
PubChem CID23915182
Molecular FormulaC21H23IN2O4
Molecular Weight494.33 g/mol
Exact Mass494.07
IUPAC NameN-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(Cc1ccco1)C1CC(=O)N(c2ccc(I)cc2)C1=O
InChIInChI=1S/C21H23IN2O4/c1-21(2,3)12-19(26)23(13-16-5-4-10-28-16)17-11-18(25)24(20(17)27)15-8-6-14(22)7-9-15/h4-10,17H,11-13H2,1-3H3
InChIKeyOELSJPNCQKIJSI-UHFFFAOYSA-N
XLogP3.98
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23832287
N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23802161
N-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 1364893
N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 1109163
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 2866571
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 3121019
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 3121023
N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23802125
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 23830936
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 23915164
4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate
CID 6973834
4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoic acid
CID 4676004

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide (CID 23915182) is N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)N(Cc1ccco1)C1CC(=O)N(c2ccc(I)cc2)C1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
The InChIKey is OELSJPNCQKIJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23IN2O4/c1-21(2,3)12-19(26)23(13-16-5-4-10-28-16)17-11-18(25)24(20(17)27)15-8-6-14(22)7-9-15/h4-10,17H,11-13H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide has a molecular weight of 494.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 23915182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).