4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide

C26H23N3O4 — CID 135900117

IUPAC4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3cc(-c4ccc(O)c(C)c4)nc(=O)[nH]3)cc2)c1
InChIInChI=1S/C26H23N3O4/c1-16-12-20(10-11-24(16)30)23-14-22(28-26(32)29-23)18-6-8-19(9-7-18)25(31)27-15-17-4-3-5-21(13-17)33-2/h3-14,30H,15H2,1-2H3,(H,27,31)(H,28,29,32)
InChIKeyUYDHBPGWRLOFII-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.06
Rot. Bonds6

About 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide

4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 135900117) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID135900117
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3cc(-c4ccc(O)c(C)c4)nc(=O)[nH]3)cc2)c1
InChIInChI=1S/C26H23N3O4/c1-16-12-20(10-11-24(16)30)23-14-22(28-26(32)29-23)18-6-8-19(9-7-18)25(31)27-15-17-4-3-5-21(13-17)33-2/h3-14,30H,15H2,1-2H3,(H,27,31)(H,28,29,32)
InChIKeyUYDHBPGWRLOFII-UHFFFAOYSA-N
XLogP4.06
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 135900183
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 46091676
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide
CID 136651690
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 42691501
N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]-N-methylbenzamide
CID 135589886
4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319113
N-[(3-methoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762651
N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110295366
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide (CID 135900117) is 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2ccc(-c3cc(-c4ccc(O)c(C)c4)nc(=O)[nH]3)cc2)c1.
What is the InChIKey of 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is UYDHBPGWRLOFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-16-12-20(10-11-24(16)30)23-14-22(28-26(32)29-23)18-6-8-19(9-7-18)25(31)27-15-17-4-3-5-21(13-17)33-2/h3-14,30H,15H2,1-2H3,(H,27,31)(H,28,29,32).
What are the key properties of 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 441.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 135900117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).