N-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide

C20H35N5O3 — CID 70842076

IUPACN-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide
SMILESCCCCOCNc1nc(C2CCCC2)nc(N(COCCCC)C(C)=O)n1
InChIInChI=1S/C20H35N5O3/c1-4-6-12-27-14-21-19-22-18(17-10-8-9-11-17)23-20(24-19)25(16(3)26)15-28-13-7-5-2/h17H,4-15H2,1-3H3,(H,21,22,23,24)
InChIKeyUHJLFRXNARQOLS-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.84
Rot. Bonds13

About N-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide

N-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide (PubChem CID 70842076) has the molecular formula C20H35N5O3 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide
PubChem CID70842076
Molecular FormulaC20H35N5O3
Molecular Weight393.53 g/mol
Exact Mass393.27
IUPAC NameN-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide
SMILESCCCCOCNc1nc(C2CCCC2)nc(N(COCCCC)C(C)=O)n1
InChIInChI=1S/C20H35N5O3/c1-4-6-12-27-14-21-19-22-18(17-10-8-9-11-17)23-20(24-19)25(16(3)26)15-28-13-7-5-2/h17H,4-15H2,1-3H3,(H,21,22,23,24)
InChIKeyUHJLFRXNARQOLS-UHFFFAOYSA-N
XLogP3.84
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]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 N-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide (CID 70842076) is N-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide is CCCCOCNc1nc(C2CCCC2)nc(N(COCCCC)C(C)=O)n1.
What is the InChIKey of N-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide?
The InChIKey is UHJLFRXNARQOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O3/c1-4-6-12-27-14-21-19-22-18(17-10-8-9-11-17)23-20(24-19)25(16(3)26)15-28-13-7-5-2/h17H,4-15H2,1-3H3,(H,21,22,23,24).
What are the key properties of N-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide?
N-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.84, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butoxymethyl)-N-[4-(butoxymethylamino)-6-cyclopentyl-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 70842076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).