2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide

C29H30N4O3 — CID 25266095

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N4O3/c34-26-18-21-33(28(36)32-26)22-27(35)30-19-10-11-20-31-29(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-18,21,31H,10-11,19-20,22H2,(H,30,35)(H,32,34,36)
InChIKeyZILMFSIJXJCYCA-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.01
Rot. Bonds11

About 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide (PubChem CID 25266095) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide
PubChem CID25266095
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N4O3/c34-26-18-21-33(28(36)32-26)22-27(35)30-19-10-11-20-31-29(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-18,21,31H,10-11,19-20,22H2,(H,30,35)(H,32,34,36)
InChIKeyZILMFSIJXJCYCA-UHFFFAOYSA-N
XLogP3.01
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide 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 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide (CID 25266095) is 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NCCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide?
The InChIKey is ZILMFSIJXJCYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c34-26-18-21-33(28(36)32-26)22-27(35)30-19-10-11-20-31-29(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-18,21,31H,10-11,19-20,22H2,(H,30,35)(H,32,34,36).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide has a molecular weight of 482.58 g/mol, XLogP of 3.01, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(tritylamino)butyl]acetamide is sourced from PubChem (CID 25266095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).