N-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide

C15H26N6O6 — CID 20745580

IUPACN-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide
SMILESCOCN(COC)c1nc(N(COC)COC)nc(N(C(C)=O)C(C)=O)n1
InChIInChI=1S/C15H26N6O6/c1-11(22)21(12(2)23)15-17-13(19(7-24-3)8-25-4)16-14(18-15)20(9-26-5)10-27-6/h7-10H2,1-6H3
InChIKeyIQRBGWWYFHHTKD-UHFFFAOYSA-N
MW386.41 g/mol
LogP-0.20
Rot. Bonds11

About N-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide

N-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide (PubChem CID 20745580) has the molecular formula C15H26N6O6 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide
PubChem CID20745580
Molecular FormulaC15H26N6O6
Molecular Weight386.41 g/mol
Exact Mass386.19
IUPAC NameN-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide
SMILESCOCN(COC)c1nc(N(COC)COC)nc(N(C(C)=O)C(C)=O)n1
InChIInChI=1S/C15H26N6O6/c1-11(22)21(12(2)23)15-17-13(19(7-24-3)8-25-4)16-14(18-15)20(9-26-5)10-27-6/h7-10H2,1-6H3
InChIKeyIQRBGWWYFHHTKD-UHFFFAOYSA-N
XLogP-0.20
TPSA119.45 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-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-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide (CID 20745580) is N-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide is COCN(COC)c1nc(N(COC)COC)nc(N(C(C)=O)C(C)=O)n1.
What is the InChIKey of N-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide?
The InChIKey is IQRBGWWYFHHTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O6/c1-11(22)21(12(2)23)15-17-13(19(7-24-3)8-25-4)16-14(18-15)20(9-26-5)10-27-6/h7-10H2,1-6H3.
What are the key properties of N-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide?
N-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide has a molecular weight of 386.41 g/mol, XLogP of -0.20, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 20745580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).