2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

C21H32Cl2N6O2 — CID 21424325

IUPAC2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCC)n1.CCc1cccc(CC)c1N(COC)C(=O)CCl
InChIInChI=1S/C14H20ClNO2.C7H12ClN5/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15;1-3-9-6-11-5(8)12-7(13-6)10-4-2/h6-8H,4-5,9-10H2,1-3H3;3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyKVGFWAQZWHMCFH-UHFFFAOYSA-N
MW471.43 g/mol
LogP4.38
Rot. Bonds10

About 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 21424325) has the molecular formula C21H32Cl2N6O2 and a molecular weight of 471.43 g/mol. Its IUPAC name is 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID21424325
Molecular FormulaC21H32Cl2N6O2
Molecular Weight471.43 g/mol
Exact Mass470.20
IUPAC Name2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCC)n1.CCc1cccc(CC)c1N(COC)C(=O)CCl
InChIInChI=1S/C14H20ClNO2.C7H12ClN5/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15;1-3-9-6-11-5(8)12-7(13-6)10-4-2/h6-8H,4-5,9-10H2,1-3H3;3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyKVGFWAQZWHMCFH-UHFFFAOYSA-N
XLogP4.38
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.43
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 21124454
2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
CID 163807844
N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
CID 6448437
2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide
CID 154317163
2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 154111334
[2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate
CID 165437646
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 70292332
6-chloro-4-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106262673
2-(4-benzylphenoxy)-N,N-diethylethanamine;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;hydrochloride
CID 131720780
2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide
CID 15685142
N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide
CID 21299002
2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide
CID 70614092

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (CID 21424325) is 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NCC)n1.CCc1cccc(CC)c1N(COC)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KVGFWAQZWHMCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2.C7H12ClN5/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15;1-3-9-6-11-5(8)12-7(13-6)10-4-2/h6-8H,4-5,9-10H2,1-3H3;3-4H2,1-2H3,(H2,9,10,11,12,13).
What are the key properties of 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 471.43 g/mol, XLogP of 4.38, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21424325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).