2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide

C15H18ClN5O3 — CID 122252894

IUPAC2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide
SMILESCOc1nc(CNC(=O)COc2ccc(Cl)cc2)nc(N(C)C)n1
InChIInChI=1S/C15H18ClN5O3/c1-21(2)14-18-12(19-15(20-14)23-3)8-17-13(22)9-24-11-6-4-10(16)5-7-11/h4-7H,8-9H2,1-3H3,(H,17,22)
InChIKeyYMFKAUPCKCMAPZ-UHFFFAOYSA-N
MW351.79 g/mol
LogP1.29
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide (PubChem CID 122252894) has the molecular formula C15H18ClN5O3 and a molecular weight of 351.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide
PubChem CID122252894
Molecular FormulaC15H18ClN5O3
Molecular Weight351.79 g/mol
Exact Mass351.11
IUPAC Name2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide
SMILESCOc1nc(CNC(=O)COc2ccc(Cl)cc2)nc(N(C)C)n1
InChIInChI=1S/C15H18ClN5O3/c1-21(2)14-18-12(19-15(20-14)23-3)8-17-13(22)9-24-11-6-4-10(16)5-7-11/h4-7H,8-9H2,1-3H3,(H,17,22)
InChIKeyYMFKAUPCKCMAPZ-UHFFFAOYSA-N
XLogP1.29
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 121137422
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
CID 121137596
2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 91969137
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
CID 122319306
2-(2,4-dichlorophenoxy)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]acetamide
CID 91966973
2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide
CID 122253015
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide
CID 122254169
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 91968336
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 121137428

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide (CID 122252894) is 2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide is COc1nc(CNC(=O)COc2ccc(Cl)cc2)nc(N(C)C)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide?
The InChIKey is YMFKAUPCKCMAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O3/c1-21(2)14-18-12(19-15(20-14)23-3)8-17-13(22)9-24-11-6-4-10(16)5-7-11/h4-7H,8-9H2,1-3H3,(H,17,22).
What are the key properties of 2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide has a molecular weight of 351.79 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide is sourced from PubChem (CID 122252894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).