N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide

C27H25N3O2 — CID 92883150

IUPACN-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
SMILESCc1ccc([C@H](C)NC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)cc1
InChIInChI=1S/C27H25N3O2/c1-18-8-10-21(11-9-18)20(3)30-26(31)22-12-14-24(15-13-22)32-27-28-16-23(17-29-27)25-7-5-4-6-19(25)2/h4-17,20H,1-3H3,(H,30,31)/t20-/m0/s1
InChIKeyICKSPJAMESBJQO-FQEVSTJZSA-N
MW423.52 g/mol
LogP6.04
Rot. Bonds6

About N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide

N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide (PubChem CID 92883150) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
PubChem CID92883150
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
SMILESCc1ccc([C@H](C)NC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)cc1
InChIInChI=1S/C27H25N3O2/c1-18-8-10-21(11-9-18)20(3)30-26(31)22-12-14-24(15-13-22)32-27-28-16-23(17-29-27)25-7-5-4-6-19(25)2/h4-17,20H,1-3H3,(H,30,31)/t20-/m0/s1
InChIKeyICKSPJAMESBJQO-FQEVSTJZSA-N
XLogP6.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 95087279
N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388945
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
3-(4-methoxyphenyl)-4-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 20803221
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide
CID 53116673
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26037076
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982
6-(4-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 93070978

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide (CID 92883150) is N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide is Cc1ccc([C@H](C)NC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide?
The InChIKey is ICKSPJAMESBJQO-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-18-8-10-21(11-9-18)20(3)30-26(31)22-12-14-24(15-13-22)32-27-28-16-23(17-29-27)25-7-5-4-6-19(25)2/h4-17,20H,1-3H3,(H,30,31)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide?
N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide has a molecular weight of 423.52 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide is sourced from PubChem (CID 92883150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).