N,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide

C28H28N2O5 — CID 91808517

IUPACN,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide
SMILESCc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3C(=O)N(C)C)cc2)o1
InChIInChI=1S/C28H28N2O5/c1-16(2)25(31)23-24(20-8-6-7-9-21(20)27(33)29(4)5)30(28(34)26(23)32)19-13-11-18(12-14-19)22-15-10-17(3)35-22/h6-16,23-24H,1-5H3
InChIKeyQMRUQNAGEQMQEW-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.46
Rot. Bonds6

About N,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide

N,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide (PubChem CID 91808517) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide
PubChem CID91808517
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC NameN,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide
SMILESCc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3C(=O)N(C)C)cc2)o1
InChIInChI=1S/C28H28N2O5/c1-16(2)25(31)23-24(20-8-6-7-9-21(20)27(33)29(4)5)30(28(34)26(23)32)19-13-11-18(12-14-19)22-15-10-17(3)35-22/h6-16,23-24H,1-5H3
InChIKeyQMRUQNAGEQMQEW-UHFFFAOYSA-N
XLogP4.46
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide?
The IUPAC name of N,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide (CID 91808517) is N,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide?
The canonical SMILES for N,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide is Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3C(=O)N(C)C)cc2)o1.
What is the InChIKey of N,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide?
The InChIKey is QMRUQNAGEQMQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-16(2)25(31)23-24(20-8-6-7-9-21(20)27(33)29(4)5)30(28(34)26(23)32)19-13-11-18(12-14-19)22-15-10-17(3)35-22/h6-16,23-24H,1-5H3.
What are the key properties of N,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide?
N,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide has a molecular weight of 472.54 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide is sourced from PubChem (CID 91808517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).