N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide

C21H20N2O4 — CID 9482656

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2c1
InChIInChI=1S/C21H20N2O4/c1-14-10-18(7-9-20(14)23(25)26)21(24)22(2)13-15-4-5-17-12-19(27-3)8-6-16(17)11-15/h4-12H,13H2,1-3H3
InChIKeyUZZDSZXCARAAGF-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.34
Rot. Bonds5

About N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide

N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide (PubChem CID 9482656) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
PubChem CID9482656
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2c1
InChIInChI=1S/C21H20N2O4/c1-14-10-18(7-9-20(14)23(25)26)21(24)22(2)13-15-4-5-17-12-19(27-3)8-6-16(17)11-15/h4-12H,13H2,1-3H3
InChIKeyUZZDSZXCARAAGF-UHFFFAOYSA-N
XLogP4.34
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide
CID 9482800
N-benzyl-N,3-dimethyl-4-nitrobenzamide
CID 786991
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-4-nitrobenzamide
CID 9298269
N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 18116967
N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-nitrobenzamide
CID 8964575
N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7925766
3-ethoxy-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 43012781
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide
CID 8857208
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 8529251
3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 46585419
3-(methanesulfonamido)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18117006
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 26444427

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide (CID 9482656) is N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide is COc1ccc2cc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide?
The InChIKey is UZZDSZXCARAAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14-10-18(7-9-20(14)23(25)26)21(24)22(2)13-15-4-5-17-12-19(27-3)8-6-16(17)11-15/h4-12H,13H2,1-3H3.
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide?
N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide has a molecular weight of 364.40 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide is sourced from PubChem (CID 9482656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).