2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide

C22H23N3O2 — CID 122261861

IUPAC2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCc2cc(-c3ccccc3)ncn2)c1
InChIInChI=1S/C22H23N3O2/c1-15-9-16(2)11-20(10-15)27-17(3)22(26)23-13-19-12-21(25-14-24-19)18-7-5-4-6-8-18/h4-12,14,17H,13H2,1-3H3,(H,23,26)
InChIKeyGIIGLDQSWAOHAN-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.84
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide

2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide (PubChem CID 122261861) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
PubChem CID122261861
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCc2cc(-c3ccccc3)ncn2)c1
InChIInChI=1S/C22H23N3O2/c1-15-9-16(2)11-20(10-15)27-17(3)22(26)23-13-19-12-21(25-14-24-19)18-7-5-4-6-8-18/h4-12,14,17H,13H2,1-3H3,(H,23,26)
InChIKeyGIIGLDQSWAOHAN-UHFFFAOYSA-N
XLogP3.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
CID 122261886
2-naphthalen-1-yloxy-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
CID 122262006
2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 17165615
2-(2-methoxy-4-methylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261876
2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
CID 17013983
2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 53286403
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
CID 122262121
(2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide
CID 129354694
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
CID 24511209

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide (CID 122261861) is 2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide is Cc1cc(C)cc(OC(C)C(=O)NCc2cc(-c3ccccc3)ncn2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide?
The InChIKey is GIIGLDQSWAOHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-9-16(2)11-20(10-15)27-17(3)22(26)23-13-19-12-21(25-14-24-19)18-7-5-4-6-8-18/h4-12,14,17H,13H2,1-3H3,(H,23,26).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide?
2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide has a molecular weight of 361.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide is sourced from PubChem (CID 122261861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).