N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide

C25H30N2O4 — CID 58870349

IUPACN-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide
SMILESCN(CCOc1ccc(CC2CC(=O)NC2=O)cc1)C(=O)CCCCc1ccccc1
InChIInChI=1S/C25H30N2O4/c1-27(24(29)10-6-5-9-19-7-3-2-4-8-19)15-16-31-22-13-11-20(12-14-22)17-21-18-23(28)26-25(21)30/h2-4,7-8,11-14,21H,5-6,9-10,15-18H2,1H3,(H,26,28,30)
InChIKeyNAUDQGBIIQSWNJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.14
Rot. Bonds11

About N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide

N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide (PubChem CID 58870349) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide.

Molecular Properties

Compound NameN-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide
PubChem CID58870349
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide
SMILESCN(CCOc1ccc(CC2CC(=O)NC2=O)cc1)C(=O)CCCCc1ccccc1
InChIInChI=1S/C25H30N2O4/c1-27(24(29)10-6-5-9-19-7-3-2-4-8-19)15-16-31-22-13-11-20(12-14-22)17-21-18-23(28)26-25(21)30/h2-4,7-8,11-14,21H,5-6,9-10,15-18H2,1H3,(H,26,28,30)
InChIKeyNAUDQGBIIQSWNJ-UHFFFAOYSA-N
XLogP3.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide?
The IUPAC name of N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide (CID 58870349) is N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide.
What is the SMILES notation for N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide?
The canonical SMILES for N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide is CN(CCOc1ccc(CC2CC(=O)NC2=O)cc1)C(=O)CCCCc1ccccc1.
What is the InChIKey of N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide?
The InChIKey is NAUDQGBIIQSWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-27(24(29)10-6-5-9-19-7-3-2-4-8-19)15-16-31-22-13-11-20(12-14-22)17-21-18-23(28)26-25(21)30/h2-4,7-8,11-14,21H,5-6,9-10,15-18H2,1H3,(H,26,28,30).
What are the key properties of N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide?
N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide has a molecular weight of 422.53 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide is sourced from PubChem (CID 58870349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).