N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide

C19H17N3O2 — CID 5065684

IUPACN-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ncc(-c3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C19H17N3O2/c1-13-3-5-15(6-4-13)16-11-20-19(21-12-16)24-18-9-7-17(8-10-18)22-14(2)23/h3-12H,1-2H3,(H,22,23)
InChIKeyHAPZLRRVJYVZOM-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.20
Rot. Bonds4

About N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide

N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide (PubChem CID 5065684) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide
PubChem CID5065684
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ncc(-c3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C19H17N3O2/c1-13-3-5-15(6-4-13)16-11-20-19(21-12-16)24-18-9-7-17(8-10-18)22-14(2)23/h3-12H,1-2H3,(H,22,23)
InChIKeyHAPZLRRVJYVZOM-UHFFFAOYSA-N
XLogP4.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388960
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide
CID 53116673
N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388945
N-(4-methylphenyl)acetamide
CID 7684
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 95087279
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
N-[4-(4-methyl-2-prop-2-enylphenoxy)phenyl]acetamide
CID 54371897
carbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide
CID 176545527
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
2-methoxy-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 75835932

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide?
The IUPAC name of N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide (CID 5065684) is N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2ncc(-c3ccc(C)cc3)cn2)cc1.
What is the InChIKey of N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide?
The InChIKey is HAPZLRRVJYVZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-3-5-15(6-4-13)16-11-20-19(21-12-16)24-18-9-7-17(8-10-18)22-14(2)23/h3-12H,1-2H3,(H,22,23).
What are the key properties of N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide?
N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide has a molecular weight of 319.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide is sourced from PubChem (CID 5065684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).