N-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide

C17H24N4O5 — CID 165399325

IUPACN-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(CC(=O)CN1CCC(NC(C)=O)C1=O)CC1CCNC1=O
InChIInChI=1S/C17H24N4O5/c1-3-15(24)21(8-12-4-6-18-16(12)25)10-13(23)9-20-7-5-14(17(20)26)19-11(2)22/h3,12,14H,1,4-10H2,2H3,(H,18,25)(H,19,22)
InChIKeyVCASBYFQSHQKQJ-UHFFFAOYSA-N
MW364.40 g/mol
LogP-1.56
Rot. Bonds8

About N-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide

N-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide (PubChem CID 165399325) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide
PubChem CID165399325
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC NameN-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(CC(=O)CN1CCC(NC(C)=O)C1=O)CC1CCNC1=O
InChIInChI=1S/C17H24N4O5/c1-3-15(24)21(8-12-4-6-18-16(12)25)10-13(23)9-20-7-5-14(17(20)26)19-11(2)22/h3,12,14H,1,4-10H2,2H3,(H,18,25)(H,19,22)
InChIKeyVCASBYFQSHQKQJ-UHFFFAOYSA-N
XLogP-1.56
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide?
The IUPAC name of N-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide (CID 165399325) is N-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide is C=CC(=O)N(CC(=O)CN1CCC(NC(C)=O)C1=O)CC1CCNC1=O.
What is the InChIKey of N-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide?
The InChIKey is VCASBYFQSHQKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-3-15(24)21(8-12-4-6-18-16(12)25)10-13(23)9-20-7-5-14(17(20)26)19-11(2)22/h3,12,14H,1,4-10H2,2H3,(H,18,25)(H,19,22).
What are the key properties of N-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide?
N-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide has a molecular weight of 364.40 g/mol, XLogP of -1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-acetamido-2-oxopyrrolidin-1-yl)-2-oxopropyl]-N-[(2-oxopyrrolidin-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 165399325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).