3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide

C26H28N2O3 — CID 58188210

IUPAC3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide
SMILESCc1ccc(-c2cc(OC3CCOC3)cc(C(=O)N[C@H](C)c3ccc(C)nc3)c2)cc1
InChIInChI=1S/C26H28N2O3/c1-17-4-7-20(8-5-17)22-12-23(14-25(13-22)31-24-10-11-30-16-24)26(29)28-19(3)21-9-6-18(2)27-15-21/h4-9,12-15,19,24H,10-11,16H2,1-3H3,(H,28,29)/t19-,24?/m1/s1
InChIKeyIWVRWANOAQMMPK-PHSANKKPSA-N
MW416.52 g/mol
LogP5.02
Rot. Bonds6

About 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide

3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide (PubChem CID 58188210) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide
PubChem CID58188210
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide
SMILESCc1ccc(-c2cc(OC3CCOC3)cc(C(=O)N[C@H](C)c3ccc(C)nc3)c2)cc1
InChIInChI=1S/C26H28N2O3/c1-17-4-7-20(8-5-17)22-12-23(14-25(13-22)31-24-10-11-30-16-24)26(29)28-19(3)21-9-6-18(2)27-15-21/h4-9,12-15,19,24H,10-11,16H2,1-3H3,(H,28,29)/t19-,24?/m1/s1
InChIKeyIWVRWANOAQMMPK-PHSANKKPSA-N
XLogP5.02
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
CID 58188284
N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide
CID 121397288
3-(5-chloro-1,3-thiazol-2-yl)-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide
CID 121397412
3-(5-chloro-1,3-thiazol-2-yl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-[(3S)-oxolan-3-yl]oxybenzamide
CID 121397765
3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide
CID 134328339
3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide
CID 134328010
3-[(3S)-oxolan-3-yl]oxy-5-(5-propan-2-yl-1,3-thiazol-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 134327894
3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
CID 76719433
3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 118391476
3-(1,3-benzothiazol-2-yloxy)-5-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 58188271
3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 146501376
N-[1-(3-chloro-5-fluoro-2-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide
CID 121397669

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide?
The IUPAC name of 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide (CID 58188210) is 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide is Cc1ccc(-c2cc(OC3CCOC3)cc(C(=O)N[C@H](C)c3ccc(C)nc3)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide?
The InChIKey is IWVRWANOAQMMPK-PHSANKKPSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-17-4-7-20(8-5-17)22-12-23(14-25(13-22)31-24-10-11-30-16-24)26(29)28-19(3)21-9-6-18(2)27-15-21/h4-9,12-15,19,24H,10-11,16H2,1-3H3,(H,28,29)/t19-,24?/m1/s1.
What are the key properties of 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide?
3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide has a molecular weight of 416.52 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide is sourced from PubChem (CID 58188210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).