4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide

C19H22N2O6 — CID 2213710

IUPAC4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC
InChIInChI=1S/C19H22N2O6/c1-4-5-10-27-17-8-6-13(11-18(17)26-3)19(22)20-15-12-14(21(23)24)7-9-16(15)25-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,22)
InChIKeyIVKDBZDUHKYNME-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.04
Rot. Bonds9

About 4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide

4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide (PubChem CID 2213710) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
PubChem CID2213710
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC
InChIInChI=1S/C19H22N2O6/c1-4-5-10-27-17-8-6-13(11-18(17)26-3)19(22)20-15-12-14(21(23)24)7-9-16(15)25-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,22)
InChIKeyIVKDBZDUHKYNME-UHFFFAOYSA-N
XLogP4.04
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.04
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

3-bromo-4-butoxy-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]benzamide
CID 4956014
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-4-pentoxybenzamide
CID 4935632
3-bromo-4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 54781642
3-bromo-4-butoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 4955751
4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 19170787
4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2162625
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098
butyl 4-[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7984416

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide?
The IUPAC name of 4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide (CID 2213710) is 4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide?
The canonical SMILES for 4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide is CCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide?
The InChIKey is IVKDBZDUHKYNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-4-5-10-27-17-8-6-13(11-18(17)26-3)19(22)20-15-12-14(21(23)24)7-9-16(15)25-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,22).
What are the key properties of 4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide?
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide has a molecular weight of 374.39 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 2213710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).