N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide

C22H23N3O2 — CID 53021164

IUPACN-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(-c2cc(Oc3ccccc3)ncn2)cc1
InChIInChI=1S/C22H23N3O2/c1-16(2)12-13-23-22(26)18-10-8-17(9-11-18)20-14-21(25-15-24-20)27-19-6-4-3-5-7-19/h3-11,14-16H,12-13H2,1-2H3,(H,23,26)
InChIKeyYOLMOCXREXRGPG-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.71
Rot. Bonds7

About N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide

N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide (PubChem CID 53021164) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide
PubChem CID53021164
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(-c2cc(Oc3ccccc3)ncn2)cc1
InChIInChI=1S/C22H23N3O2/c1-16(2)12-13-23-22(26)18-10-8-17(9-11-18)20-14-21(25-15-24-20)27-19-6-4-3-5-7-19/h3-11,14-16H,12-13H2,1-2H3,(H,23,26)
InChIKeyYOLMOCXREXRGPG-UHFFFAOYSA-N
XLogP4.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021376
N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021136
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388
3-[6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-pentylbenzamide
CID 53011517
N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
CID 11080574
N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115084
N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 95053242
3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide
CID 53119921
N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115089
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide
CID 46387077

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide?
The IUPAC name of N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide (CID 53021164) is N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide?
The canonical SMILES for N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide is CC(C)CCNC(=O)c1ccc(-c2cc(Oc3ccccc3)ncn2)cc1.
What is the InChIKey of N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide?
The InChIKey is YOLMOCXREXRGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16(2)12-13-23-22(26)18-10-8-17(9-11-18)20-14-21(25-15-24-20)27-19-6-4-3-5-7-19/h3-11,14-16H,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide?
N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide has a molecular weight of 361.45 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide is sourced from PubChem (CID 53021164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).