N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide

C22H23N3O3 — CID 92882421

IUPACN-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(-c2nccc(Oc3ccc(OC)cc3)n2)c1
InChIInChI=1S/C22H23N3O3/c1-4-15(2)24-22(26)17-7-5-6-16(14-17)21-23-13-12-20(25-21)28-19-10-8-18(27-3)9-11-19/h5-15H,4H2,1-3H3,(H,24,26)/t15-/m0/s1
InChIKeyUSACUTZVGNMZQS-HNNXBMFYSA-N
MW377.44 g/mol
LogP4.47
Rot. Bonds7

About N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide

N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide (PubChem CID 92882421) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
PubChem CID92882421
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(-c2nccc(Oc3ccc(OC)cc3)n2)c1
InChIInChI=1S/C22H23N3O3/c1-4-15(2)24-22(26)17-7-5-6-16(14-17)21-23-13-12-20(25-21)28-19-10-8-18(27-3)9-11-19/h5-15H,4H2,1-3H3,(H,24,26)/t15-/m0/s1
InChIKeyUSACUTZVGNMZQS-HNNXBMFYSA-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-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 83277133
N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 92883133
N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021179
3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide
CID 46386554
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92882439
3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 46386528
N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide
CID 125168230
3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051458
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46386589
3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide
CID 46388852
N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 92882452
N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide
CID 92883220

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide (CID 92882421) is N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide is CC[C@H](C)NC(=O)c1cccc(-c2nccc(Oc3ccc(OC)cc3)n2)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The InChIKey is USACUTZVGNMZQS-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-15(2)24-22(26)17-7-5-6-16(14-17)21-23-13-12-20(25-21)28-19-10-8-18(27-3)9-11-19/h5-15H,4H2,1-3H3,(H,24,26)/t15-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-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-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide is sourced from PubChem (CID 92882421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).