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

C29H30N2O5 — CID 91808644

IUPACN-methyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide
SMILESCNC(=O)CCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1
InChIInChI=1S/C29H30N2O5/c1-17(2)27(33)25-26(22-8-6-5-7-19(22)12-16-24(32)30-4)31(29(35)28(25)34)21-13-10-20(11-14-21)23-15-9-18(3)36-23/h5-11,13-15,17,25-26H,12,16H2,1-4H3,(H,30,32)
InChIKeyFUCYCVHNNUTESR-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.43
Rot. Bonds8

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

N-methyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide (PubChem CID 91808644) has the molecular formula C29H30N2O5 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-methyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide
PubChem CID91808644
Molecular FormulaC29H30N2O5
Molecular Weight486.57 g/mol
Exact Mass486.22
IUPAC NameN-methyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide
SMILESCNC(=O)CCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1
InChIInChI=1S/C29H30N2O5/c1-17(2)27(33)25-26(22-8-6-5-7-19(22)12-16-24(32)30-4)31(29(35)28(25)34)21-13-10-20(11-14-21)23-15-9-18(3)36-23/h5-11,13-15,17,25-26H,12,16H2,1-4H3,(H,30,32)
InChIKeyFUCYCVHNNUTESR-UHFFFAOYSA-N
XLogP4.43
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.43
H-Bond Donors ≤ 51
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-methyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide?
The IUPAC name of N-methyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide (CID 91808644) is N-methyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide.
What is the SMILES notation for N-methyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide?
The canonical SMILES for N-methyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide is CNC(=O)CCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1.
What is the InChIKey of N-methyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide?
The InChIKey is FUCYCVHNNUTESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O5/c1-17(2)27(33)25-26(22-8-6-5-7-19(22)12-16-24(32)30-4)31(29(35)28(25)34)21-13-10-20(11-14-21)23-15-9-18(3)36-23/h5-11,13-15,17,25-26H,12,16H2,1-4H3,(H,30,32).
What are the key properties of N-methyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide?
N-methyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide has a molecular weight of 486.57 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide is sourced from PubChem (CID 91808644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).