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

C30H32N2O5 — CID 91808646

IUPACN,N-dimethyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide
SMILESCc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3CCC(=O)N(C)C)cc2)o1
InChIInChI=1S/C30H32N2O5/c1-18(2)28(34)26-27(23-9-7-6-8-20(23)13-17-25(33)31(4)5)32(30(36)29(26)35)22-14-11-21(12-15-22)24-16-10-19(3)37-24/h6-12,14-16,18,26-27H,13,17H2,1-5H3
InChIKeyRSGUGMKSZPUJSI-UHFFFAOYSA-N
MW500.60 g/mol
LogP4.77
Rot. Bonds8

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

N,N-dimethyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide (PubChem CID 91808646) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide
PubChem CID91808646
Molecular FormulaC30H32N2O5
Molecular Weight500.60 g/mol
Exact Mass500.23
IUPAC NameN,N-dimethyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide
SMILESCc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3CCC(=O)N(C)C)cc2)o1
InChIInChI=1S/C30H32N2O5/c1-18(2)28(34)26-27(23-9-7-6-8-20(23)13-17-25(33)31(4)5)32(30(36)29(26)35)22-14-11-21(12-15-22)24-16-10-19(3)37-24/h6-12,14-16,18,26-27H,13,17H2,1-5H3
InChIKeyRSGUGMKSZPUJSI-UHFFFAOYSA-N
XLogP4.77
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.77
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-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide?
The IUPAC name of N,N-dimethyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide (CID 91808646) is N,N-dimethyl-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,N-dimethyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide is Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3CCC(=O)N(C)C)cc2)o1.
What is the InChIKey of N,N-dimethyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide?
The InChIKey is RSGUGMKSZPUJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O5/c1-18(2)28(34)26-27(23-9-7-6-8-20(23)13-17-25(33)31(4)5)32(30(36)29(26)35)22-14-11-21(12-15-22)24-16-10-19(3)37-24/h6-12,14-16,18,26-27H,13,17H2,1-5H3.
What are the key properties of N,N-dimethyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide?
N,N-dimethyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide has a molecular weight of 500.60 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[1-[4-(5-methylfuran-2-yl)phenyl]-3-(2-methylpropanoyl)-4,5-dioxopyrrolidin-2-yl]phenyl]propanamide is sourced from PubChem (CID 91808646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).