4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide

C17H18N2O5 — CID 110492988

IUPAC4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-3-10-24-14-8-9-15(16(11-14)19(21)22)18-17(20)12-4-6-13(23-2)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,18,20)
InChIKeyYUMCCOXRWSJBQX-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.64
Rot. Bonds7

About 4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide

4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide (PubChem CID 110492988) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
PubChem CID110492988
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-3-10-24-14-8-9-15(16(11-14)19(21)22)18-17(20)12-4-6-13(23-2)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,18,20)
InChIKeyYUMCCOXRWSJBQX-UHFFFAOYSA-N
XLogP3.64
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide
CID 110493104
4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2828426
2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493113
N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide
CID 110493019
2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493042
3,4,5-triethoxy-N-(4-ethoxy-2-nitrophenyl)benzamide
CID 2862752
N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide
CID 3375045
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
3-butoxy-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]benzamide
CID 2927063
N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide
CID 3304811
N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide
CID 110493070
4-butoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17050202

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide?
The IUPAC name of 4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide (CID 110492988) is 4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide?
The InChIKey is YUMCCOXRWSJBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-3-10-24-14-8-9-15(16(11-14)19(21)22)18-17(20)12-4-6-13(23-2)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,18,20).
What are the key properties of 4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide?
4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide has a molecular weight of 330.34 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide is sourced from PubChem (CID 110492988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).