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

C18H23N3O4 — CID 23743730

IUPACN-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCCC(C)N(C(C)=O)C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O
InChIInChI=1S/C18H23N3O4/c1-5-11(2)20(13(4)23)16-10-17(24)21(18(16)25)15-8-6-14(7-9-15)19-12(3)22/h6-9,11,16H,5,10H2,1-4H3,(H,19,22)
InChIKeyBNISNXLFNZOKFO-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.92
Rot. Bonds5

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

N-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 23743730) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID23743730
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCCC(C)N(C(C)=O)C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O
InChIInChI=1S/C18H23N3O4/c1-5-11(2)20(13(4)23)16-10-17(24)21(18(16)25)15-8-6-14(7-9-15)19-12(3)22/h6-9,11,16H,5,10H2,1-4H3,(H,19,22)
InChIKeyBNISNXLFNZOKFO-UHFFFAOYSA-N
XLogP1.92
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.92
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(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (CID 23743730) is N-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is CCC(C)N(C(C)=O)C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O.
What is the InChIKey of N-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is BNISNXLFNZOKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-5-11(2)20(13(4)23)16-10-17(24)21(18(16)25)15-8-6-14(7-9-15)19-12(3)22/h6-9,11,16H,5,10H2,1-4H3,(H,19,22).
What are the key properties of N-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
N-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 23743730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).