N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide

C17H16N2O4 — CID 124618481

IUPACN-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccccc2c1C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O
InChIInChI=1S/C17H16N2O4/c1-9-15(11-4-2-3-5-13(11)23-9)17(22)19(10-6-7-10)12-8-14(20)18-16(12)21/h2-5,10,12H,6-8H2,1H3,(H,18,20,21)/t12-/m1/s1
InChIKeyJFPNHONINTXKAP-GFCCVEGCSA-N
MW312.32 g/mol
LogP1.76
Rot. Bonds3

About N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide

N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 124618481) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID124618481
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC NameN-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccccc2c1C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O
InChIInChI=1S/C17H16N2O4/c1-9-15(11-4-2-3-5-13(11)23-9)17(22)19(10-6-7-10)12-8-14(20)18-16(12)21/h2-5,10,12H,6-8H2,1H3,(H,18,20,21)/t12-/m1/s1
InChIKeyJFPNHONINTXKAP-GFCCVEGCSA-N
XLogP1.76
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide (CID 124618481) is N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccccc2c1C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O.
What is the InChIKey of N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is JFPNHONINTXKAP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-9-15(11-4-2-3-5-13(11)23-9)17(22)19(10-6-7-10)12-8-14(20)18-16(12)21/h2-5,10,12H,6-8H2,1H3,(H,18,20,21)/t12-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide?
N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 124618481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).