N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

C17H19N3O4 — CID 23743710

IUPACN-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(C(C)=O)C3CC3)C2=O)cc1
InChIInChI=1S/C17H19N3O4/c1-10(21)18-12-3-5-14(6-4-12)20-16(23)9-15(17(20)24)19(11(2)22)13-7-8-13/h3-6,13,15H,7-9H2,1-2H3,(H,18,21)
InChIKeyJZQMHAHKABZSNV-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.29
Rot. Bonds4

About N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 23743710) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID23743710
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(C(C)=O)C3CC3)C2=O)cc1
InChIInChI=1S/C17H19N3O4/c1-10(21)18-12-3-5-14(6-4-12)20-16(23)9-15(17(20)24)19(11(2)22)13-7-8-13/h3-6,13,15H,7-9H2,1-2H3,(H,18,21)
InChIKeyJZQMHAHKABZSNV-UHFFFAOYSA-N
XLogP1.29
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (CID 23743710) is N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)CC(N(C(C)=O)C3CC3)C2=O)cc1.
What is the InChIKey of N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is JZQMHAHKABZSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10(21)18-12-3-5-14(6-4-12)20-16(23)9-15(17(20)24)19(11(2)22)13-7-8-13/h3-6,13,15H,7-9H2,1-2H3,(H,18,21).
What are the key properties of N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 329.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 23743710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).