N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide

C18H26N2O5 — CID 36681735

IUPACN-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)NC2CCCCCCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H26N2O5/c1-3-25-17-11-14(15(20(22)23)12-16(17)24-2)18(21)19-13-9-7-5-4-6-8-10-13/h11-13H,3-10H2,1-2H3,(H,19,21)
InChIKeyLQPZPEXZTXJNAV-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.84
Rot. Bonds6

About N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide

N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide (PubChem CID 36681735) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide
PubChem CID36681735
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC NameN-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)NC2CCCCCCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H26N2O5/c1-3-25-17-11-14(15(20(22)23)12-16(17)24-2)18(21)19-13-9-7-5-4-6-8-10-13/h11-13H,3-10H2,1-2H3,(H,19,21)
InChIKeyLQPZPEXZTXJNAV-UHFFFAOYSA-N
XLogP3.84
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.84
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

N-cyclooctyl-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 35532421
4-ethoxy-5-methoxy-2-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450881
N-(4-aminocyclohexyl)-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 119476234
N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
CID 24632569
N-butyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36711005
[2-(cycloheptylamino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 2570393
4,5-dimethoxy-2-nitro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427739
N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide
CID 51268497
N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
CID 134060927
4-ethoxy-N-[2-(ethylamino)ethyl]-5-methoxy-2-nitrobenzamide
CID 119506030
N-(3-aminopropyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 119405488
5-ethoxy-4-methoxy-2-nitro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46597743

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide?
The IUPAC name of N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide (CID 36681735) is N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide.
What is the SMILES notation for N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide?
The canonical SMILES for N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide is CCOc1cc(C(=O)NC2CCCCCCC2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide?
The InChIKey is LQPZPEXZTXJNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-3-25-17-11-14(15(20(22)23)12-16(17)24-2)18(21)19-13-9-7-5-4-6-8-10-13/h11-13H,3-10H2,1-2H3,(H,19,21).
What are the key properties of N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide?
N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide is sourced from PubChem (CID 36681735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).