4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide

C17H18N2O6 — CID 41442755

IUPAC4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H18N2O6/c1-23-13-4-6-14(7-5-13)25-10-9-18-17(20)12-3-8-16(24-2)15(11-12)19(21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyRKGKSNGJOMXTEY-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.42
Rot. Bonds8

About 4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide

4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide (PubChem CID 41442755) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide
PubChem CID41442755
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H18N2O6/c1-23-13-4-6-14(7-5-13)25-10-9-18-17(20)12-3-8-16(24-2)15(11-12)19(21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyRKGKSNGJOMXTEY-UHFFFAOYSA-N
XLogP2.42
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide
CID 51232675
N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
CID 110839035
N-[3-(2-chloroethoxy)propyl]-4-methoxy-3-nitrobenzamide
CID 106306591
N-(6-iodohexyl)-4-methoxy-3-nitrobenzamide
CID 107848390
4-ethoxy-N-(3-methoxypropyl)-3-nitrobenzamide
CID 39752649
3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide
CID 86836580
4-amino-N-[2-(4-tert-butylphenoxy)ethyl]-3-nitrobenzamide
CID 27861722
N-[2-(cycloheptylamino)ethyl]-4-methoxy-3-nitrobenzamide
CID 119620943
methyl 4-methoxy-5-[3-[(4-methoxybenzoyl)amino]propoxy]-2-nitrobenzoate
CID 164580210
4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide
CID 7749788
N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide
CID 83031412
3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
CID 55416508

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide?
The IUPAC name of 4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide (CID 41442755) is 4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide?
The canonical SMILES for 4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide is COc1ccc(OCCNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide?
The InChIKey is RKGKSNGJOMXTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-23-13-4-6-14(7-5-13)25-10-9-18-17(20)12-3-8-16(24-2)15(11-12)19(21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of 4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide?
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide has a molecular weight of 346.34 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide is sourced from PubChem (CID 41442755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).