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

C21H20N2O4 — CID 18116967

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3cccc(C)c3[N+](=O)[O-])ccc2c1
InChIInChI=1S/C21H20N2O4/c1-14-5-4-6-19(20(14)23(25)26)21(24)22(2)13-15-7-8-17-12-18(27-3)10-9-16(17)11-15/h4-12H,13H2,1-3H3
InChIKeyTYBDGWFDLKFWBP-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.34
Rot. Bonds5

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

N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide (PubChem CID 18116967) 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-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
PubChem CID18116967
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3cccc(C)c3[N+](=O)[O-])ccc2c1
InChIInChI=1S/C21H20N2O4/c1-14-5-4-6-19(20(14)23(25)26)21(24)22(2)13-15-7-8-17-12-18(27-3)10-9-16(17)11-15/h4-12H,13H2,1-3H3
InChIKeyTYBDGWFDLKFWBP-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

N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
CID 9482656
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide
CID 8857208
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 61409828
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18116979
methyl 2-[methyl-(3-methyl-2-nitrobenzoyl)amino]acetate
CID 43409751
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide
CID 9482800
2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 18115021
N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 55780843
2-amino-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 115412767
N-(3-aminopropyl)-N,3-dimethyl-2-nitrobenzamide
CID 81482524
N-(2-bromo-3-methoxypropyl)-N,3-dimethyl-2-nitrobenzamide
CID 80671007
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 9482674

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide (CID 18116967) is N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide is COc1ccc2cc(CN(C)C(=O)c3cccc(C)c3[N+](=O)[O-])ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide?
The InChIKey is TYBDGWFDLKFWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14-5-4-6-19(20(14)23(25)26)21(24)22(2)13-15-7-8-17-12-18(27-3)10-9-16(17)11-15/h4-12H,13H2,1-3H3.
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide?
N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-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-2-nitrobenzamide is sourced from PubChem (CID 18116967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).