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

C24H22N2O4 — CID 23802125

IUPACN-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
SMILESCc1ccc(N2C(=O)CC(N(Cc3ccco3)C(=O)Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H22N2O4/c1-17-9-11-19(12-10-17)26-23(28)15-21(24(26)29)25(16-20-8-5-13-30-20)22(27)14-18-6-3-2-4-7-18/h2-13,21H,14-16H2,1H3
InChIKeySONGZXQHPBODGB-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.49
Rot. Bonds6

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

N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide (PubChem CID 23802125) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
PubChem CID23802125
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC NameN-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
SMILESCc1ccc(N2C(=O)CC(N(Cc3ccco3)C(=O)Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H22N2O4/c1-17-9-11-19(12-10-17)26-23(28)15-21(24(26)29)25(16-20-8-5-13-30-20)22(27)14-18-6-3-2-4-7-18/h2-13,21H,14-16H2,1H3
InChIKeySONGZXQHPBODGB-UHFFFAOYSA-N
XLogP3.49
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[3-[[2-(4-chlorophenyl)acetyl]-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23743770
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23943061
4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate
CID 6973834
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-benzyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23915049
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 3121019
4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoic acid
CID 4676004
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 3121023
N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23915182
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23887067

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide (CID 23802125) is N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide is Cc1ccc(N2C(=O)CC(N(Cc3ccco3)C(=O)Cc3ccccc3)C2=O)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide?
The InChIKey is SONGZXQHPBODGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-17-9-11-19(12-10-17)26-23(28)15-21(24(26)29)25(16-20-8-5-13-30-20)22(27)14-18-6-3-2-4-7-18/h2-13,21H,14-16H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide?
N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide has a molecular weight of 402.45 g/mol, XLogP of 3.49, 6 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-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 23802125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).