2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide

C17H20ClN3O4 — CID 646972

IUPAC2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide
SMILESCOc1cc(C)nc(OCCNC(=O)COc2ccc(Cl)cc2C)n1
InChIInChI=1S/C17H20ClN3O4/c1-11-8-13(18)4-5-14(11)25-10-15(22)19-6-7-24-17-20-12(2)9-16(21-17)23-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,19,22)
InChIKeyKGILUTDLJGSUHR-UHFFFAOYSA-N
MW365.82 g/mol
LogP2.33
Rot. Bonds8

About 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide (PubChem CID 646972) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide
PubChem CID646972
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide
SMILESCOc1cc(C)nc(OCCNC(=O)COc2ccc(Cl)cc2C)n1
InChIInChI=1S/C17H20ClN3O4/c1-11-8-13(18)4-5-14(11)25-10-15(22)19-6-7-24-17-20-12(2)9-16(21-17)23-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,19,22)
InChIKeyKGILUTDLJGSUHR-UHFFFAOYSA-N
XLogP2.33
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide (CID 646972) is 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide is COc1cc(C)nc(OCCNC(=O)COc2ccc(Cl)cc2C)n1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide?
The InChIKey is KGILUTDLJGSUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c1-11-8-13(18)4-5-14(11)25-10-15(22)19-6-7-24-17-20-12(2)9-16(21-17)23-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,19,22).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide has a molecular weight of 365.82 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide is sourced from PubChem (CID 646972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).