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

C29H30N2O5 — CID 91808606

IUPACN,N-dimethyl-2-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]acetamide
SMILESCc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3CC(=O)N(C)C)cc2)o1
InChIInChI=1S/C29H30N2O5/c1-17(2)27(33)25-26(22-9-7-6-8-20(22)16-24(32)30(4)5)31(29(35)28(25)34)21-13-11-19(12-14-21)23-15-10-18(3)36-23/h6-15,17,25-26H,16H2,1-5H3
InChIKeyXKPPCNRXBMEQOW-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.38
Rot. Bonds7

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

N,N-dimethyl-2-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]acetamide (PubChem CID 91808606) has the molecular formula C29H30N2O5 and a molecular weight of 486.57 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]acetamide
PubChem CID91808606
Molecular FormulaC29H30N2O5
Molecular Weight486.57 g/mol
Exact Mass486.22
IUPAC NameN,N-dimethyl-2-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]acetamide
SMILESCc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3CC(=O)N(C)C)cc2)o1
InChIInChI=1S/C29H30N2O5/c1-17(2)27(33)25-26(22-9-7-6-8-20(22)16-24(32)30(4)5)31(29(35)28(25)34)21-13-11-19(12-14-21)23-15-10-18(3)36-23/h6-15,17,25-26H,16H2,1-5H3
InChIKeyXKPPCNRXBMEQOW-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
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-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]acetamide (CID 91808606) is N,N-dimethyl-2-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]acetamide is Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3CC(=O)N(C)C)cc2)o1.
What is the InChIKey of N,N-dimethyl-2-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]acetamide?
The InChIKey is XKPPCNRXBMEQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O5/c1-17(2)27(33)25-26(22-9-7-6-8-20(22)16-24(32)30(4)5)31(29(35)28(25)34)21-13-11-19(12-14-21)23-15-10-18(3)36-23/h6-15,17,25-26H,16H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]acetamide?
N,N-dimethyl-2-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]acetamide has a molecular weight of 486.57 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]acetamide is sourced from PubChem (CID 91808606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).