N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide

C22H23N3O2 — CID 92883133

IUPACN-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
SMILESCC[C@@H](C)NC(=O)c1cccc(Oc2ccnc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C22H23N3O2/c1-4-16(3)24-22(26)18-6-5-7-19(14-18)27-20-12-13-23-21(25-20)17-10-8-15(2)9-11-17/h5-14,16H,4H2,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyNJPZYUORUQXUDH-MRXNPFEDSA-N
MW361.45 g/mol
LogP4.77
Rot. Bonds6

About N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide

N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide (PubChem CID 92883133) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
PubChem CID92883133
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
SMILESCC[C@@H](C)NC(=O)c1cccc(Oc2ccnc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C22H23N3O2/c1-4-16(3)24-22(26)18-6-5-7-19(14-18)27-20-12-13-23-21(25-20)17-10-8-15(2)9-11-17/h5-14,16H,4H2,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyNJPZYUORUQXUDH-MRXNPFEDSA-N
XLogP4.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide 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

N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 92882421
N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 83277133
3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92883131
N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388811
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92882439
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831
3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46388837
3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide
CID 46388852
3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 46388743
N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021179
N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 92882452
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide (CID 92883133) is N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide is CC[C@@H](C)NC(=O)c1cccc(Oc2ccnc(-c3ccc(C)cc3)n2)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide?
The InChIKey is NJPZYUORUQXUDH-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-16(3)24-22(26)18-6-5-7-19(14-18)27-20-12-13-23-21(25-20)17-10-8-15(2)9-11-17/h5-14,16H,4H2,1-3H3,(H,24,26)/t16-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide?
N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide has a molecular weight of 361.45 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 92883133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).