3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide

C18H20F3N3O2 — CID 71796975

IUPAC3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCc2nc(C)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H20F3N3O2/c1-12-11-15(18(19,20)21)24-16(23-12)9-10-22-17(25)8-5-13-3-6-14(26-2)7-4-13/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,22,25)
InChIKeyULWKLINDUAYAND-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.10
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide

3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide (PubChem CID 71796975) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide
PubChem CID71796975
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCc2nc(C)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H20F3N3O2/c1-12-11-15(18(19,20)21)24-16(23-12)9-10-22-17(25)8-5-13-3-6-14(26-2)7-4-13/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,22,25)
InChIKeyULWKLINDUAYAND-UHFFFAOYSA-N
XLogP3.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide (CID 71796975) is 3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide is COc1ccc(CCC(=O)NCCc2nc(C)cc(C(F)(F)F)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide?
The InChIKey is ULWKLINDUAYAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-12-11-15(18(19,20)21)24-16(23-12)9-10-22-17(25)8-5-13-3-6-14(26-2)7-4-13/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,22,25).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide?
3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide has a molecular weight of 367.37 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]propanamide is sourced from PubChem (CID 71796975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).