N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide

C22H22N2O6 — CID 8566464

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide
SMILESCOc1ccc2cc(CN(C)C(=O)COc3cc([N+](=O)[O-])ccc3OC)ccc2c1
InChIInChI=1S/C22H22N2O6/c1-23(13-15-4-5-17-11-19(28-2)8-6-16(17)10-15)22(25)14-30-21-12-18(24(26)27)7-9-20(21)29-3/h4-12H,13-14H2,1-3H3
InChIKeyHIQUFNNGYYMGBT-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.80
Rot. Bonds8

About N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide

N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide (PubChem CID 8566464) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide
PubChem CID8566464
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide
SMILESCOc1ccc2cc(CN(C)C(=O)COc3cc([N+](=O)[O-])ccc3OC)ccc2c1
InChIInChI=1S/C22H22N2O6/c1-23(13-15-4-5-17-11-19(28-2)8-6-16(17)10-15)22(25)14-30-21-12-18(24(26)27)7-9-20(21)29-3/h4-12H,13-14H2,1-3H3
InChIKeyHIQUFNNGYYMGBT-UHFFFAOYSA-N
XLogP3.80
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8700775
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide
CID 8566529
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide
CID 8857208
3-ethoxy-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 43012781
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8844967
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 8529251
(2-methoxy-5-nitrophenyl) 3-(4-methoxyphenyl)propanoate
CID 8908166
2-(2-chloro-4-nitrophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 4784990
2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 9482694
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 9011158

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide (CID 8566464) is N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide is COc1ccc2cc(CN(C)C(=O)COc3cc([N+](=O)[O-])ccc3OC)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide?
The InChIKey is HIQUFNNGYYMGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-23(13-15-4-5-17-11-19(28-2)8-6-16(17)10-15)22(25)14-30-21-12-18(24(26)27)7-9-20(21)29-3/h4-12H,13-14H2,1-3H3.
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide?
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide has a molecular weight of 410.43 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide is sourced from PubChem (CID 8566464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).