2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide

C18H23N3O3 — CID 121119224

IUPAC2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCCn2cnc(C)cc2=O)c1
InChIInChI=1S/C18H23N3O3/c1-12-7-13(2)9-16(8-12)24-15(4)18(23)19-5-6-21-11-20-14(3)10-17(21)22/h7-11,15H,5-6H2,1-4H3,(H,19,23)
InChIKeyQORWNOFJOMQXFQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.75
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide

2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide (PubChem CID 121119224) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
PubChem CID121119224
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCCn2cnc(C)cc2=O)c1
InChIInChI=1S/C18H23N3O3/c1-12-7-13(2)9-16(8-12)24-15(4)18(23)19-5-6-21-11-20-14(3)10-17(21)22/h7-11,15H,5-6H2,1-4H3,(H,19,23)
InChIKeyQORWNOFJOMQXFQ-UHFFFAOYSA-N
XLogP1.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide
CID 121119228
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide
CID 121119981
2-(3,5-dimethylphenoxy)-N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]propanamide
CID 121106658
2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119210
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
CID 90515888
2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119643
2-(3-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
CID 90515636
1-(3,5-dimethoxyphenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121119478
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide
CID 121121158
1-(2,5-dimethoxyphenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121119485
(2S)-2-(3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 99972774

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide (CID 121119224) is 2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide is Cc1cc(C)cc(OC(C)C(=O)NCCn2cnc(C)cc2=O)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The InChIKey is QORWNOFJOMQXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-7-13(2)9-16(8-12)24-15(4)18(23)19-5-6-21-11-20-14(3)10-17(21)22/h7-11,15H,5-6H2,1-4H3,(H,19,23).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 121119224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).