2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide

C24H29N3O4 — CID 45187724

IUPAC2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CC1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O
InChIInChI=1S/C24H29N3O4/c1-18(2)26(3)21(28)15-24(19-9-5-4-6-10-19)16-22(29)27(23(24)30)13-8-14-31-20-11-7-12-25-17-20/h4-7,9-12,17-18H,8,13-16H2,1-3H3
InChIKeyYUHBPYNOHBQTLP-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.80
Rot. Bonds9

About 2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide

2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 45187724) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID45187724
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CC1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O
InChIInChI=1S/C24H29N3O4/c1-18(2)26(3)21(28)15-24(19-9-5-4-6-10-19)16-22(29)27(23(24)30)13-8-14-31-20-11-7-12-25-17-20/h4-7,9-12,17-18H,8,13-16H2,1-3H3
InChIKeyYUHBPYNOHBQTLP-UHFFFAOYSA-N
XLogP2.80
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide (CID 45187724) is 2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CC1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O.
What is the InChIKey of 2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is YUHBPYNOHBQTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-18(2)26(3)21(28)15-24(19-9-5-4-6-10-19)16-22(29)27(23(24)30)13-8-14-31-20-11-7-12-25-17-20/h4-7,9-12,17-18H,8,13-16H2,1-3H3.
What are the key properties of 2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide?
2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 423.51 g/mol, XLogP of 2.80, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 45187724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).