3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide

C18H22N2O3 — CID 86932709

IUPAC3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(C)Cc2cccnc2)ccc1OC(C)C
InChIInChI=1S/C18H22N2O3/c1-13(2)23-16-8-7-15(10-17(16)22-4)18(21)20(3)12-14-6-5-9-19-11-14/h5-11,13H,12H2,1-4H3
InChIKeyOAISKUWQBJCFNJ-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.15
Rot. Bonds6

About 3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide

3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 86932709) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID86932709
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(C)Cc2cccnc2)ccc1OC(C)C
InChIInChI=1S/C18H22N2O3/c1-13(2)23-16-8-7-15(10-17(16)22-4)18(21)20(3)12-14-6-5-9-19-11-14/h5-11,13H,12H2,1-4H3
InChIKeyOAISKUWQBJCFNJ-UHFFFAOYSA-N
XLogP3.15
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78886268
N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78872697
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 112790335
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 86993083
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
3-methoxy-N-methyl-4-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 46539241
2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 115116120
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide (CID 86932709) is 3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide is COc1cc(C(=O)N(C)Cc2cccnc2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is OAISKUWQBJCFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(2)23-16-8-7-15(10-17(16)22-4)18(21)20(3)12-14-6-5-9-19-11-14/h5-11,13H,12H2,1-4H3.
What are the key properties of 3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide?
3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 314.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 86932709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).