N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide

C17H24N2O3 — CID 167819604

IUPACN-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
SMILESCOc1ccc(OC)c(CN(C)C(=O)CC2=CCNCC2)c1
InChIInChI=1S/C17H24N2O3/c1-19(17(20)10-13-6-8-18-9-7-13)12-14-11-15(21-2)4-5-16(14)22-3/h4-6,11,18H,7-10,12H2,1-3H3
InChIKeyJTLODMGKRXJDQO-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.97
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide

N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide (PubChem CID 167819604) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
PubChem CID167819604
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
SMILESCOc1ccc(OC)c(CN(C)C(=O)CC2=CCNCC2)c1
InChIInChI=1S/C17H24N2O3/c1-19(17(20)10-13-6-8-18-9-7-13)12-14-11-15(21-2)4-5-16(14)22-3/h4-6,11,18H,7-10,12H2,1-3H3
InChIKeyJTLODMGKRXJDQO-UHFFFAOYSA-N
XLogP1.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922
N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-3-sulfanylpropanamide
CID 115167920
N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
CID 78852195
2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486788
2-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806385
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036
2-(2,5-dimethoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170385
(E)-4-[(2,5-dimethoxyphenyl)methyl-methylamino]but-2-enoic acid
CID 115237180
2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78806852
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide (CID 167819604) is N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide is COc1ccc(OC)c(CN(C)C(=O)CC2=CCNCC2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
The InChIKey is JTLODMGKRXJDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-19(17(20)10-13-6-8-18-9-7-13)12-14-11-15(21-2)4-5-16(14)22-3/h4-6,11,18H,7-10,12H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide is sourced from PubChem (CID 167819604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).