5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide

C18H22N2O2 — CID 110761323

IUPAC5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)NCc1ccccn1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)13-8-9-16(22-4)15(11-13)17(21)20-12-14-7-5-6-10-19-14/h5-11H,12H2,1-4H3,(H,20,21)
InChIKeyMLRLEFUCJNSIPZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.32
Rot. Bonds4

About 5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide

5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 110761323) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID110761323
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)NCc1ccccn1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)13-8-9-16(22-4)15(11-13)17(21)20-12-14-7-5-6-10-19-14/h5-11H,12H2,1-4H3,(H,20,21)
InChIKeyMLRLEFUCJNSIPZ-UHFFFAOYSA-N
XLogP3.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetamido-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110764476
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110762042
2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783848
N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide
CID 110761334
2-(2-methoxy-5-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999277
2-methoxy-5-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709278
5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 13037178
acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 91231286
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
2-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 4225926

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide (CID 110761323) is 5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide is COc1ccc(C(C)(C)C)cc1C(=O)NCc1ccccn1.
What is the InChIKey of 5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is MLRLEFUCJNSIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,3)13-8-9-16(22-4)15(11-13)17(21)20-12-14-7-5-6-10-19-14/h5-11H,12H2,1-4H3,(H,20,21).
What are the key properties of 5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide?
5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 110761323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).