N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide

C18H22N2O2 — CID 37133440

IUPACN-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C18H22N2O2/c1-4-18(2,3)20-17(21)15-5-7-16(8-6-15)22-13-14-9-11-19-12-10-14/h5-12H,4,13H2,1-3H3,(H,20,21)
InChIKeyQSJTWILOBNZMAZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.58
Rot. Bonds6

About N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide

N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 37133440) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID37133440
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C18H22N2O2/c1-4-18(2,3)20-17(21)15-5-7-16(8-6-15)22-13-14-9-11-19-12-10-14/h5-12H,4,13H2,1-3H3,(H,20,21)
InChIKeyQSJTWILOBNZMAZ-UHFFFAOYSA-N
XLogP3.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-4-(pyridin-4-ylmethoxy)benzamide
CID 34947835
N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide
CID 110878329
N-(1-amino-1-oxopropan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 20768706
N-(2-methylbutan-2-yl)-4-propan-2-yloxybenzamide
CID 56920644
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride
CID 119522848
N-(2-hydroxyphenyl)-4-(pyridin-4-ylmethoxy)benzamide
CID 34954288
N-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylmethoxy)benzamide
CID 36998699
1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 122108901
(NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 24698943
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
[2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride
CID 122714602

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide (CID 37133440) is N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide is CCC(C)(C)NC(=O)c1ccc(OCc2ccncc2)cc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is QSJTWILOBNZMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-18(2,3)20-17(21)15-5-7-16(8-6-15)22-13-14-9-11-19-12-10-14/h5-12H,4,13H2,1-3H3,(H,20,21).
What are the key properties of N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide?
N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 37133440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).