3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide

C27H30N2O3 — CID 58188284

IUPAC3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2cc(OCC3CCCO3)cc(C(=O)N[C@H](C)c3ccc(C)nc3)c2)cc1
InChIInChI=1S/C27H30N2O3/c1-18-6-9-21(10-7-18)23-13-24(15-26(14-23)32-17-25-5-4-12-31-25)27(30)29-20(3)22-11-8-19(2)28-16-22/h6-11,13-16,20,25H,4-5,12,17H2,1-3H3,(H,29,30)/t20-,25?/m1/s1
InChIKeyPPDGPKRJSVHQTQ-VGOKPJQXSA-N
MW430.55 g/mol
LogP5.41
Rot. Bonds7

About 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide

3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide (PubChem CID 58188284) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
PubChem CID58188284
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2cc(OCC3CCCO3)cc(C(=O)N[C@H](C)c3ccc(C)nc3)c2)cc1
InChIInChI=1S/C27H30N2O3/c1-18-6-9-21(10-7-18)23-13-24(15-26(14-23)32-17-25-5-4-12-31-25)27(30)29-20(3)22-11-8-19(2)28-16-22/h6-11,13-16,20,25H,4-5,12,17H2,1-3H3,(H,29,30)/t20-,25?/m1/s1
InChIKeyPPDGPKRJSVHQTQ-VGOKPJQXSA-N
XLogP5.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
CID 76719433
3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide
CID 58188210
N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 121397244
N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 134328277
N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 121405137
N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 121397738
3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 118391476
N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 46420066
N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide
CID 146501364
3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-[(4-phenyl-1,3-thiazol-2-yl)oxy]benzamide
CID 58188373
N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxolan-2-ylmethoxy)benzamide
CID 134328164
3-(5-cyclobutyl-1,3-thiazol-2-yl)-5-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide
CID 121397755

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide (CID 58188284) is 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide is Cc1ccc(-c2cc(OCC3CCCO3)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-2-ylmethoxy)benzamide?
The InChIKey is PPDGPKRJSVHQTQ-VGOKPJQXSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-18-6-9-21(10-7-18)23-13-24(15-26(14-23)32-17-25-5-4-12-31-25)27(30)29-20(3)22-11-8-19(2)28-16-22/h6-11,13-16,20,25H,4-5,12,17H2,1-3H3,(H,29,30)/t20-,25?/m1/s1.
What are the key properties of 3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide?
3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 430.55 g/mol, XLogP of 5.41, 7 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-2-ylmethoxy)benzamide is sourced from PubChem (CID 58188284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).