N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide

C22H23N3O3 — CID 95053242

IUPACN-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(-c2cc(Oc3ccccc3OC)ncn2)cc1
InChIInChI=1S/C22H23N3O3/c1-4-15(2)25-22(26)17-11-9-16(10-12-17)18-13-21(24-14-23-18)28-20-8-6-5-7-19(20)27-3/h5-15H,4H2,1-3H3,(H,25,26)/t15-/m1/s1
InChIKeyOVJHQICQQFQAQH-OAHLLOKOSA-N
MW377.44 g/mol
LogP4.47
Rot. Bonds7

About N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide

N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide (PubChem CID 95053242) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
PubChem CID95053242
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(-c2cc(Oc3ccccc3OC)ncn2)cc1
InChIInChI=1S/C22H23N3O3/c1-4-15(2)25-22(26)17-11-9-16(10-12-17)18-13-21(24-14-23-18)28-20-8-6-5-7-19(20)27-3/h5-15H,4H2,1-3H3,(H,25,26)/t15-/m1/s1
InChIKeyOVJHQICQQFQAQH-OAHLLOKOSA-N
XLogP4.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115093
N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021111
N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021179
N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115095
4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95086936
N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 92882452
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53011044
N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide
CID 53021164
N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide
CID 41370948
N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-butan-2-yl-4-[[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111215469

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide (CID 95053242) is N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide is CC[C@@H](C)NC(=O)c1ccc(-c2cc(Oc3ccccc3OC)ncn2)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The InChIKey is OVJHQICQQFQAQH-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-15(2)25-22(26)17-11-9-16(10-12-17)18-13-21(24-14-23-18)28-20-8-6-5-7-19(20)27-3/h5-15H,4H2,1-3H3,(H,25,26)/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 95053242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).