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

C29H30N4O4 — CID 25266093

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[2-(tritylamino)ethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N(CCO)CCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N4O4/c34-21-20-32(27(36)22-33-18-16-26(35)31-28(33)37)19-17-30-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-16,18,30,34H,17,19-22H2,(H,31,35,37)
InChIKeyAJVQPSILOBTNLL-UHFFFAOYSA-N
MW498.58 g/mol
LogP1.94
Rot. Bonds11

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

2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[2-(tritylamino)ethyl]acetamide (PubChem CID 25266093) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[2-(tritylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[2-(tritylamino)ethyl]acetamide
PubChem CID25266093
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[2-(tritylamino)ethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N(CCO)CCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N4O4/c34-21-20-32(27(36)22-33-18-16-26(35)31-28(33)37)19-17-30-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-16,18,30,34H,17,19-22H2,(H,31,35,37)
InChIKeyAJVQPSILOBTNLL-UHFFFAOYSA-N
XLogP1.94
TPSA107.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[2-(tritylamino)ethyl]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-(2-hydroxyethyl)-N-[2-(tritylamino)ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[2-(tritylamino)ethyl]acetamide (CID 25266093) is 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[2-(tritylamino)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[2-(tritylamino)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[2-(tritylamino)ethyl]acetamide is O=C(Cn1ccc(=O)[nH]c1=O)N(CCO)CCNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[2-(tritylamino)ethyl]acetamide?
The InChIKey is AJVQPSILOBTNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c34-21-20-32(27(36)22-33-18-16-26(35)31-28(33)37)19-17-30-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-16,18,30,34H,17,19-22H2,(H,31,35,37).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[2-(tritylamino)ethyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[2-(tritylamino)ethyl]acetamide has a molecular weight of 498.58 g/mol, XLogP of 1.94, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[2-(tritylamino)ethyl]acetamide is sourced from PubChem (CID 25266093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).