4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide

C18H22N2O2 — CID 110761596

IUPAC4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCOc1cc(C)c(C(=O)N(C)CCc2ccncc2)cc1C
InChIInChI=1S/C18H22N2O2/c1-13-12-17(22-4)14(2)11-16(13)18(21)20(3)10-7-15-5-8-19-9-6-15/h5-6,8-9,11-12H,7,10H2,1-4H3
InChIKeyISQLRCYHXYEHQO-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.02
Rot. Bonds5

About 4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide

4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 110761596) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID110761596
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCOc1cc(C)c(C(=O)N(C)CCc2ccncc2)cc1C
InChIInChI=1S/C18H22N2O2/c1-13-12-17(22-4)14(2)11-16(13)18(21)20(3)10-7-15-5-8-19-9-6-15/h5-6,8-9,11-12H,7,10H2,1-4H3
InChIKeyISQLRCYHXYEHQO-UHFFFAOYSA-N
XLogP3.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110762978
3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761103
5-chloro-N-ethyl-4-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110762101
4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206750
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110768677
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
6-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109159231
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 51101796
3,4-dimethoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 99274260
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415
N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 110852590
4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide (CID 110761596) is 4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide is COc1cc(C)c(C(=O)N(C)CCc2ccncc2)cc1C.
What is the InChIKey of 4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is ISQLRCYHXYEHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-12-17(22-4)14(2)11-16(13)18(21)20(3)10-7-15-5-8-19-9-6-15/h5-6,8-9,11-12H,7,10H2,1-4H3.
What are the key properties of 4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide?
4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 110761596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).