N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide

C19H24N2O2 — CID 110440864

IUPACN-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide
SMILESCC(C)COc1ccc(C(=O)N(C)CCc2ccncc2)cc1
InChIInChI=1S/C19H24N2O2/c1-15(2)14-23-18-6-4-17(5-7-18)19(22)21(3)13-10-16-8-11-20-12-9-16/h4-9,11-12,15H,10,13-14H2,1-3H3
InChIKeyZECKBATWVDTZGX-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.43
Rot. Bonds7

About N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide

N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 110440864) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID110440864
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide
SMILESCC(C)COc1ccc(C(=O)N(C)CCc2ccncc2)cc1
InChIInChI=1S/C19H24N2O2/c1-15(2)14-23-18-6-4-17(5-7-18)19(22)21(3)13-10-16-8-11-20-12-9-16/h4-9,11-12,15H,10,13-14H2,1-3H3
InChIKeyZECKBATWVDTZGX-UHFFFAOYSA-N
XLogP3.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)benzamide
CID 110762446
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 55061119
N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 107202832
2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid
CID 43239741
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 63940992
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 79381593
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109248668
N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109159233
N-methyl-6-phenyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 110683644
3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761103
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109165736

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide (CID 110440864) is N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide is CC(C)COc1ccc(C(=O)N(C)CCc2ccncc2)cc1.
What is the InChIKey of N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is ZECKBATWVDTZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15(2)14-23-18-6-4-17(5-7-18)19(22)21(3)13-10-16-8-11-20-12-9-16/h4-9,11-12,15H,10,13-14H2,1-3H3.
What are the key properties of N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide?
N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 312.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 110440864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).