N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide

C20H24N2O6 — CID 9376413

IUPACN-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide
SMILESCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OCCC
InChIInChI=1S/C20H24N2O6/c1-4-10-27-18-8-6-14(12-19(18)28-11-5-2)21-20(23)16-13-15(22(24)25)7-9-17(16)26-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyIQLSKEDQEJRTKN-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.43
Rot. Bonds10

About N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide

N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide (PubChem CID 9376413) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide
PubChem CID9376413
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC NameN-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide
SMILESCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OCCC
InChIInChI=1S/C20H24N2O6/c1-4-10-27-18-8-6-14(12-19(18)28-11-5-2)21-20(23)16-13-15(22(24)25)7-9-17(16)26-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyIQLSKEDQEJRTKN-UHFFFAOYSA-N
XLogP4.43
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
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-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-nitrobenzamide
CID 46426545
N-[4-(diethylamino)phenyl]-2-methoxy-5-nitrobenzamide
CID 46410238
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide
CID 3276495
N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide
CID 60606316
2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 141452154
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588
N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440166
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 39971109
1-N,3-N-bis(4-fluoro-3-propoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157147

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide (CID 9376413) is N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide is CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide?
The InChIKey is IQLSKEDQEJRTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-4-10-27-18-8-6-14(12-19(18)28-11-5-2)21-20(23)16-13-15(22(24)25)7-9-17(16)26-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide?
N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide has a molecular weight of 388.42 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 9376413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).