2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide

C21H21N3O3 — CID 122261886

IUPAC2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)NCc2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C21H21N3O3/c1-15(27-19-10-8-18(26-2)9-11-19)21(25)22-13-17-12-20(24-14-23-17)16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H,22,25)
InChIKeyGLXUEYJWWVVSRZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.24
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide

2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide (PubChem CID 122261886) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
PubChem CID122261886
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)NCc2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C21H21N3O3/c1-15(27-19-10-8-18(26-2)9-11-19)21(25)22-13-17-12-20(24-14-23-17)16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H,22,25)
InChIKeyGLXUEYJWWVVSRZ-UHFFFAOYSA-N
XLogP3.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
CID 122261861
2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
CID 122262006
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262605
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240
2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262517
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086679
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262265
2-(2-methoxy-4-methylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261876

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide (CID 122261886) is 2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide is COc1ccc(OC(C)C(=O)NCc2cc(-c3ccccc3)ncn2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide?
The InChIKey is GLXUEYJWWVVSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15(27-19-10-8-18(26-2)9-11-19)21(25)22-13-17-12-20(24-14-23-17)16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide?
2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide has a molecular weight of 363.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide is sourced from PubChem (CID 122261886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).