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

C20H25N3O3 — CID 121119981

IUPACN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCCn2cnc(C3CC3)cc2=O)c1
InChIInChI=1S/C20H25N3O3/c1-13-8-14(2)10-17(9-13)26-15(3)20(25)21-6-7-23-12-22-18(11-19(23)24)16-4-5-16/h8-12,15-16H,4-7H2,1-3H3,(H,21,25)
InChIKeyJTVIWIYOKHNMRV-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.32
Rot. Bonds7

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

N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide (PubChem CID 121119981) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide
PubChem CID121119981
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCCn2cnc(C3CC3)cc2=O)c1
InChIInChI=1S/C20H25N3O3/c1-13-8-14(2)10-17(9-13)26-15(3)20(25)21-6-7-23-12-22-18(11-19(23)24)16-4-5-16/h8-12,15-16H,4-7H2,1-3H3,(H,21,25)
InChIKeyJTVIWIYOKHNMRV-UHFFFAOYSA-N
XLogP2.32
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide (CID 121119981) is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(OC(C)C(=O)NCCn2cnc(C3CC3)cc2=O)c1.
What is the InChIKey of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide?
The InChIKey is JTVIWIYOKHNMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-8-14(2)10-17(9-13)26-15(3)20(25)21-6-7-23-12-22-18(11-19(23)24)16-4-5-16/h8-12,15-16H,4-7H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide?
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 121119981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).