N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

C24H24N2O5 — CID 86941653

IUPACN-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2oc3ccccc3c2COC(C)C)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C24H24N2O5/c1-14(2)30-13-18-17-6-4-5-7-20(17)31-23(18)24(29)25-16-8-9-19(15(3)12-16)26-21(27)10-11-22(26)28/h4-9,12,14H,10-11,13H2,1-3H3,(H,25,29)
InChIKeyMYEVXOYKOKQRSR-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.57
Rot. Bonds6

About N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 86941653) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
PubChem CID86941653
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2oc3ccccc3c2COC(C)C)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C24H24N2O5/c1-14(2)30-13-18-17-6-4-5-7-20(17)31-23(18)24(29)25-16-8-9-19(15(3)12-16)26-21(27)10-11-22(26)28/h4-9,12,14H,10-11,13H2,1-3H3,(H,25,29)
InChIKeyMYEVXOYKOKQRSR-UHFFFAOYSA-N
XLogP4.57
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 49170375
N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 111433556
N-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 110877068
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86982929
N-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 111461048
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86882469
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7914455
3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153429
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 18084321
[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate
CID 55502690
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86896545

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (CID 86941653) is N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is Cc1cc(NC(=O)c2oc3ccccc3c2COC(C)C)ccc1N1C(=O)CCC1=O.
What is the InChIKey of N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is MYEVXOYKOKQRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-14(2)30-13-18-17-6-4-5-7-20(17)31-23(18)24(29)25-16-8-9-19(15(3)12-16)26-21(27)10-11-22(26)28/h4-9,12,14H,10-11,13H2,1-3H3,(H,25,29).
What are the key properties of N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 86941653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).