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

C29H30N2O5 — CID 91808608

IUPACN-ethyl-N-methyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide
SMILESCCN(C)C(=O)c1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1
InChIInChI=1S/C29H30N2O5/c1-6-30(5)28(34)22-10-8-7-9-21(22)25-24(26(32)17(2)3)27(33)29(35)31(25)20-14-12-19(13-15-20)23-16-11-18(4)36-23/h7-17,24-25H,6H2,1-5H3
InChIKeyIJYGZJSTHYLUHS-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.85
Rot. Bonds7

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

N-ethyl-N-methyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide (PubChem CID 91808608) has the molecular formula C29H30N2O5 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide
PubChem CID91808608
Molecular FormulaC29H30N2O5
Molecular Weight486.57 g/mol
Exact Mass486.22
IUPAC NameN-ethyl-N-methyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide
SMILESCCN(C)C(=O)c1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1
InChIInChI=1S/C29H30N2O5/c1-6-30(5)28(34)22-10-8-7-9-21(22)25-24(26(32)17(2)3)27(33)29(35)31(25)20-14-12-19(13-15-20)23-16-11-18(4)36-23/h7-17,24-25H,6H2,1-5H3
InChIKeyIJYGZJSTHYLUHS-UHFFFAOYSA-N
XLogP4.85
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.85
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-ethyl-N-methyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide?
The IUPAC name of N-ethyl-N-methyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide (CID 91808608) is N-ethyl-N-methyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide?
The canonical SMILES for N-ethyl-N-methyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide is CCN(C)C(=O)c1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1.
What is the InChIKey of N-ethyl-N-methyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide?
The InChIKey is IJYGZJSTHYLUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O5/c1-6-30(5)28(34)22-10-8-7-9-21(22)25-24(26(32)17(2)3)27(33)29(35)31(25)20-14-12-19(13-15-20)23-16-11-18(4)36-23/h7-17,24-25H,6H2,1-5H3.
What are the key properties of N-ethyl-N-methyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide?
N-ethyl-N-methyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide has a molecular weight of 486.57 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]benzamide is sourced from PubChem (CID 91808608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).