N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide

C16H19N3O3 — CID 121119228

IUPACN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide
SMILESCc1cc(=O)n(CCNC(=O)C(C)Oc2ccccc2)cn1
InChIInChI=1S/C16H19N3O3/c1-12-10-15(20)19(11-18-12)9-8-17-16(21)13(2)22-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3,(H,17,21)
InChIKeyLSPXWOUENYAYJD-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.14
Rot. Bonds6

About N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide (PubChem CID 121119228) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide
PubChem CID121119228
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide
SMILESCc1cc(=O)n(CCNC(=O)C(C)Oc2ccccc2)cn1
InChIInChI=1S/C16H19N3O3/c1-12-10-15(20)19(11-18-12)9-8-17-16(21)13(2)22-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3,(H,17,21)
InChIKeyLSPXWOUENYAYJD-UHFFFAOYSA-N
XLogP1.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119224
2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119210
2-(3-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
CID 90515636
2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119643
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
CID 90515888
(2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
CID 95369177
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-yloxyacetamide
CID 121119286
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
(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide
CID 129417789
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-methylsulfanylbenzamide
CID 121119327

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide (CID 121119228) is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide is Cc1cc(=O)n(CCNC(=O)C(C)Oc2ccccc2)cn1.
What is the InChIKey of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide?
The InChIKey is LSPXWOUENYAYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12-10-15(20)19(11-18-12)9-8-17-16(21)13(2)22-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide?
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide has a molecular weight of 301.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide is sourced from PubChem (CID 121119228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).