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

C22H23N3O2 — CID 83277133

IUPACN-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
SMILESCCC(C)NC(=O)c1ccc(Oc2ccnc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-4-16(3)24-22(26)17-8-10-19(11-9-17)27-20-12-13-23-21(25-20)18-7-5-6-15(2)14-18/h5-14,16H,4H2,1-3H3,(H,24,26)
InChIKeyCXTPZMAWZBUWPW-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.77
Rot. Bonds6

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

N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide (PubChem CID 83277133) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
PubChem CID83277133
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
SMILESCCC(C)NC(=O)c1ccc(Oc2ccnc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-4-16(3)24-22(26)17-8-10-19(11-9-17)27-20-12-13-23-21(25-20)18-7-5-6-15(2)14-18/h5-14,16H,4H2,1-3H3,(H,24,26)
InChIKeyCXTPZMAWZBUWPW-UHFFFAOYSA-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

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Related Compounds

N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 92882421
N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 92883133
N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide
CID 22587985
N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021179
3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 46388743
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92882439
N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386406
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide
CID 46386554
N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 93070931
3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92883131
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide?
The IUPAC name of N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide (CID 83277133) is N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide is CCC(C)NC(=O)c1ccc(Oc2ccnc(-c3cccc(C)c3)n2)cc1.
What is the InChIKey of N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide?
The InChIKey is CXTPZMAWZBUWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-16(3)24-22(26)17-8-10-19(11-9-17)27-20-12-13-23-21(25-20)18-7-5-6-15(2)14-18/h5-14,16H,4H2,1-3H3,(H,24,26).
What are the key properties of N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide?
N-butan-2-yl-4-[2-(3-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-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 83277133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).