N-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide

C16H21ClN6O3 — CID 6492122

IUPACN-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCOc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C16H21ClN6O3/c1-10-8-11(17)4-5-12(10)26-9-13(24)19-6-7-25-16-21-14(18)20-15(22-16)23(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,19,24)(H2,18,20,21,22)
InChIKeyHEPWMZZGODDWPV-UHFFFAOYSA-N
MW380.84 g/mol
LogP1.06
Rot. Bonds8

About N-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide

N-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 6492122) has the molecular formula C16H21ClN6O3 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID6492122
Molecular FormulaC16H21ClN6O3
Molecular Weight380.84 g/mol
Exact Mass380.14
IUPAC NameN-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCOc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C16H21ClN6O3/c1-10-8-11(17)4-5-12(10)26-9-13(24)19-6-7-25-16-21-14(18)20-15(22-16)23(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,19,24)(H2,18,20,21,22)
InChIKeyHEPWMZZGODDWPV-UHFFFAOYSA-N
XLogP1.06
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)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-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide (CID 6492122) is N-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide is Cc1cc(Cl)ccc1OCC(=O)NCCOc1nc(N)nc(N(C)C)n1.
What is the InChIKey of N-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is HEPWMZZGODDWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O3/c1-10-8-11(17)4-5-12(10)26-9-13(24)19-6-7-25-16-21-14(18)20-15(22-16)23(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,19,24)(H2,18,20,21,22).
What are the key properties of N-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide?
N-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 380.84 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide is sourced from PubChem (CID 6492122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).