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

C25H30N2O4 — CID 8845610

IUPAC2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)c(OC)c1
InChIInChI=1S/C25H30N2O4/c1-26(16-21-9-11-23(30-4)14-24(21)31-5)17-25(28)27(2)15-18-6-7-20-13-22(29-3)10-8-19(20)12-18/h6-14H,15-17H2,1-5H3
InChIKeyKLNHUKDGZALEBF-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.96
Rot. Bonds9

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

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide (PubChem CID 8845610) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
PubChem CID8845610
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)c(OC)c1
InChIInChI=1S/C25H30N2O4/c1-26(16-21-9-11-23(30-4)14-24(21)31-5)17-25(28)27(2)15-18-6-7-20-13-22(29-3)10-8-19(20)12-18/h6-14H,15-17H2,1-5H3
InChIKeyKLNHUKDGZALEBF-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-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8844967
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
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
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
2-(4-aminophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119682696
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 78845785
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8693130
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 9011158

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide (CID 8845610) is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide is COc1ccc(CN(C)CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
The InChIKey is KLNHUKDGZALEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-26(16-21-9-11-23(30-4)14-24(21)31-5)17-25(28)27(2)15-18-6-7-20-13-22(29-3)10-8-19(20)12-18/h6-14H,15-17H2,1-5H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
2-[(2,4-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-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 8845610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).