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

C22H34Cl2N6O2 — CID 21124454

IUPAC2-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
SMILESCCN(c1nc(N)nc(Cl)n1)C(C)C.CCc1cccc(CC)c1N(COC)C(=O)CCl
InChIInChI=1S/C14H20ClNO2.C8H14ClN5/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15;1-4-14(5(2)3)8-12-6(9)11-7(10)13-8/h6-8H,4-5,9-10H2,1-3H3;5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyVXUKOVCPPFMUTM-UHFFFAOYSA-N
MW485.46 g/mol
LogP4.33
Rot. Bonds9

About 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

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 (PubChem CID 21124454) has the molecular formula C22H34Cl2N6O2 and a molecular weight of 485.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID21124454
Molecular FormulaC22H34Cl2N6O2
Molecular Weight485.46 g/mol
Exact Mass484.21
IUPAC Name2-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
SMILESCCN(c1nc(N)nc(Cl)n1)C(C)C.CCc1cccc(CC)c1N(COC)C(=O)CCl
InChIInChI=1S/C14H20ClNO2.C8H14ClN5/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15;1-4-14(5(2)3)8-12-6(9)11-7(10)13-8/h6-8H,4-5,9-10H2,1-3H3;5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyVXUKOVCPPFMUTM-UHFFFAOYSA-N
XLogP4.33
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
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'}

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Related Compounds

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
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 70292332
2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
CID 163807844
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-(4-benzylphenoxy)-N,N-diethylethanamine;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;hydrochloride
CID 131720780
N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
CID 6448437
2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide
CID 15685142
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
CID 1128221
2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide
CID 70614092
4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 82961053
2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide
CID 154317163

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(c1nc(N)nc(Cl)n1)C(C)C.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-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is VXUKOVCPPFMUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2.C8H14ClN5/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15;1-4-14(5(2)3)8-12-6(9)11-7(10)13-8/h6-8H,4-5,9-10H2,1-3H3;5H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 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?
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 has a molecular weight of 485.46 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 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-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21124454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).