2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide

C27H25N3O4 — CID 135887690

IUPAC2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(-c3ccnc(-c4ccc(C)cc4)n3)c(O)c2)cc1
InChIInChI=1S/C27H25N3O4/c1-18-3-7-20(8-4-18)27-28-14-13-24(30-27)23-12-11-22(15-25(23)31)34-17-26(32)29-16-19-5-9-21(33-2)10-6-19/h3-15,31H,16-17H2,1-2H3,(H,29,32)
InChIKeyYNQZABGVIYBATR-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.53
Rot. Bonds8

About 2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide

2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 135887690) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID135887690
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC Name2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(-c3ccnc(-c4ccc(C)cc4)n3)c(O)c2)cc1
InChIInChI=1S/C27H25N3O4/c1-18-3-7-20(8-4-18)27-28-14-13-24(30-27)23-12-11-22(15-25(23)31)34-17-26(32)29-16-19-5-9-21(33-2)10-6-19/h3-15,31H,16-17H2,1-2H3,(H,29,32)
InChIKeyYNQZABGVIYBATR-UHFFFAOYSA-N
XLogP4.53
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 135555295
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 25238116
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]acetamide
CID 1472250
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
N-[(4-methoxyphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238050
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169909
2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide (CID 135887690) is 2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)COc2ccc(-c3ccnc(-c4ccc(C)cc4)n3)c(O)c2)cc1.
What is the InChIKey of 2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is YNQZABGVIYBATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-18-3-7-20(8-4-18)27-28-14-13-24(30-27)23-12-11-22(15-25(23)31)34-17-26(32)29-16-19-5-9-21(33-2)10-6-19/h3-15,31H,16-17H2,1-2H3,(H,29,32).
What are the key properties of 2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 455.51 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-4-[2-(4-methylphenyl)pyrimidin-4-yl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 135887690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).