N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide

C18H22N2O2 — CID 71998783

IUPACN-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide
SMILESCC(C)CN(C)C(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C18H22N2O2/c1-14(2)12-20(3)18(21)15-7-9-17(10-8-15)22-13-16-6-4-5-11-19-16/h4-11,14H,12-13H2,1-3H3
InChIKeyOJSPJDYGWHHNDM-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.39
Rot. Bonds6

About N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide

N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 71998783) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID71998783
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide
SMILESCC(C)CN(C)C(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C18H22N2O2/c1-14(2)12-20(3)18(21)15-7-9-17(10-8-15)22-13-16-6-4-5-11-19-16/h4-11,14H,12-13H2,1-3H3
InChIKeyOJSPJDYGWHHNDM-UHFFFAOYSA-N
XLogP3.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
N-[2-(methylamino)propyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 120828245
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111480307
N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111477995
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 55061119
4-[(1-methylcyclobutyl)-[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzoic acid
CID 141138739
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
[1-(2-methylpropylamino)-1-oxopropan-2-yl] (E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 55737662
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide (CID 71998783) is N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide is CC(C)CN(C)C(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is OJSPJDYGWHHNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(2)12-20(3)18(21)15-7-9-17(10-8-15)22-13-16-6-4-5-11-19-16/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide?
N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 71998783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).