2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide

C25H30N2O4 — CID 8844967

IUPAC2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
SMILESCOc1ccc2cc(CN(C)C(=O)CN(C)Cc3ccc(OC)c(OC)c3)ccc2c1
InChIInChI=1S/C25H30N2O4/c1-26(15-19-7-11-23(30-4)24(13-19)31-5)17-25(28)27(2)16-18-6-8-21-14-22(29-3)10-9-20(21)12-18/h6-14H,15-17H2,1-5H3
InChIKeyPYXJTUWTQUDTFS-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.96
Rot. Bonds9

About 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide (PubChem CID 8844967) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
PubChem CID8844967
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
SMILESCOc1ccc2cc(CN(C)C(=O)CN(C)Cc3ccc(OC)c(OC)c3)ccc2c1
InChIInChI=1S/C25H30N2O4/c1-26(15-19-7-11-23(30-4)24(13-19)31-5)17-25(28)27(2)16-18-6-8-21-14-22(29-3)10-9-20(21)12-18/h6-14H,15-17H2,1-5H3
InChIKeyPYXJTUWTQUDTFS-UHFFFAOYSA-N
XLogP3.96
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8845610
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8529237
3-ethoxy-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 43012781
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8693130
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 8529251
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide
CID 8566464
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine;hydrochloride
CID 3029793
3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide
CID 86891100
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 9011158

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide (CID 8844967) is 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide is COc1ccc2cc(CN(C)C(=O)CN(C)Cc3ccc(OC)c(OC)c3)ccc2c1.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
The InChIKey is PYXJTUWTQUDTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-26(15-19-7-11-23(30-4)24(13-19)31-5)17-25(28)27(2)16-18-6-8-21-14-22(29-3)10-9-20(21)12-18/h6-14H,15-17H2,1-5H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide has a molecular weight of 422.53 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 8844967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).