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

C17H21N3O3 — CID 121121158

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCCn2cncc(C)c2=O)c1
InChIInChI=1S/C17H21N3O3/c1-12-5-4-6-15(9-12)23-14(3)16(21)19-7-8-20-11-18-10-13(2)17(20)22/h4-6,9-11,14H,7-8H2,1-3H3,(H,19,21)
InChIKeyGSZOBNPOYBMEHZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.44
Rot. Bonds6

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

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide (PubChem CID 121121158) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide
PubChem CID121121158
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCCn2cncc(C)c2=O)c1
InChIInChI=1S/C17H21N3O3/c1-12-5-4-6-15(9-12)23-14(3)16(21)19-7-8-20-11-18-10-13(2)17(20)22/h4-6,9-11,14H,7-8H2,1-3H3,(H,19,21)
InChIKeyGSZOBNPOYBMEHZ-UHFFFAOYSA-N
XLogP1.44
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121121241
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
CID 90515888
N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide
CID 21367526
2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121121481
2-(3-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 21368370
4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121030
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
CID 119504615
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide
CID 75455498
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide
CID 121119228
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
CID 90539005
3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121042

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide (CID 121121158) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NCCn2cncc(C)c2=O)c1.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is GSZOBNPOYBMEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-5-4-6-15(9-12)23-14(3)16(21)19-7-8-20-11-18-10-13(2)17(20)22/h4-6,9-11,14H,7-8H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide?
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 315.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 121121158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).