3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide

C27H25N3O3 — CID 92882439

IUPAC3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
SMILESCOc1cccc(Oc2ccnc(-c3cccc(C(=O)N[C@H](C)c4ccc(C)cc4)c3)n2)c1
InChIInChI=1S/C27H25N3O3/c1-18-10-12-20(13-11-18)19(2)29-27(31)22-7-4-6-21(16-22)26-28-15-14-25(30-26)33-24-9-5-8-23(17-24)32-3/h4-17,19H,1-3H3,(H,29,31)/t19-/m1/s1
InChIKeyVQZRBPKNWACNRH-LJQANCHMSA-N
MW439.52 g/mol
LogP5.74
Rot. Bonds7

About 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide

3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide (PubChem CID 92882439) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
PubChem CID92882439
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
SMILESCOc1cccc(Oc2ccnc(-c3cccc(C(=O)N[C@H](C)c4ccc(C)cc4)c3)n2)c1
InChIInChI=1S/C27H25N3O3/c1-18-10-12-20(13-11-18)19(2)29-27(31)22-7-4-6-21(16-22)26-28-15-14-25(30-26)33-24-9-5-8-23(17-24)32-3/h4-17,19H,1-3H3,(H,29,31)/t19-/m1/s1
InChIKeyVQZRBPKNWACNRH-LJQANCHMSA-N
XLogP5.74
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92883131
N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 92883133
N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 92882421
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633
3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide
CID 46386554
5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95053221
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46386589
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388811
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92882436
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831
N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 83277133

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide (CID 92882439) is 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide is COc1cccc(Oc2ccnc(-c3cccc(C(=O)N[C@H](C)c4ccc(C)cc4)c3)n2)c1.
What is the InChIKey of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is VQZRBPKNWACNRH-LJQANCHMSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-18-10-12-20(13-11-18)19(2)29-27(31)22-7-4-6-21(16-22)26-28-15-14-25(30-26)33-24-9-5-8-23(17-24)32-3/h4-17,19H,1-3H3,(H,29,31)/t19-/m1/s1.
What are the key properties of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 439.52 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 92882439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).