N-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide

C23H30N2O6 — CID 55466175

IUPACN-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
SMILESCCc1ccc(C(NC(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])C(C)C)cc1
InChIInChI=1S/C23H30N2O6/c1-6-16-7-9-17(10-8-16)22(15(2)3)24-23(26)18-13-20(30-5)21(31-12-11-29-4)14-19(18)25(27)28/h7-10,13-15,22H,6,11-12H2,1-5H3,(H,24,26)
InChIKeyGBJZBHGTWKUOJZ-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.32
Rot. Bonds11

About N-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide

N-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide (PubChem CID 55466175) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
PubChem CID55466175
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC NameN-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
SMILESCCc1ccc(C(NC(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])C(C)C)cc1
InChIInChI=1S/C23H30N2O6/c1-6-16-7-9-17(10-8-16)22(15(2)3)24-23(26)18-13-20(30-5)21(31-12-11-29-4)14-19(18)25(27)28/h7-10,13-15,22H,6,11-12H2,1-5H3,(H,24,26)
InChIKeyGBJZBHGTWKUOJZ-UHFFFAOYSA-N
XLogP4.32
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.32
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

5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46585062
4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide
CID 51217068
1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethanone
CID 10539898
N-[(4-butoxy-3-methoxyphenyl)methyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55706342
5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide
CID 24563160
5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide
CID 24613247
N-(3-aminobutyl)-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide;hydrochloride
CID 119496680
N-[1-(4-ethylphenyl)-2-methylpropyl]-2,3-dimethoxybenzamide
CID 134013870
N-[1-[2-(difluoromethoxy)phenyl]propyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55673054
methyl 3-[[1-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-5-nitrobenzoate
CID 18285725
(4-methoxy-2-nitrophenyl) 5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoate
CID 55467373
N-[1-(3,4-difluorophenyl)ethyl]-5-methoxy-4-(2-methoxyethoxy)-N-methyl-2-nitrobenzamide
CID 55509928

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide?
The IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide (CID 55466175) is N-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide?
The canonical SMILES for N-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide is CCc1ccc(C(NC(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])C(C)C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide?
The InChIKey is GBJZBHGTWKUOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-6-16-7-9-17(10-8-16)22(15(2)3)24-23(26)18-13-20(30-5)21(31-12-11-29-4)14-19(18)25(27)28/h7-10,13-15,22H,6,11-12H2,1-5H3,(H,24,26).
What are the key properties of N-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide?
N-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide has a molecular weight of 430.50 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2-methylpropyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide is sourced from PubChem (CID 55466175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).