N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide

C18H26N2O5 — CID 24632569

IUPACN-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)N(CC)C2CCCCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H26N2O5/c1-4-19(13-9-7-6-8-10-13)18(21)14-11-17(25-5-2)16(24-3)12-15(14)20(22)23/h11-13H,4-10H2,1-3H3
InChIKeyXRPPHQICQRYRKX-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.80
Rot. Bonds7

About N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide

N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide (PubChem CID 24632569) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
PubChem CID24632569
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC NameN-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)N(CC)C2CCCCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H26N2O5/c1-4-19(13-9-7-6-8-10-13)18(21)14-11-17(25-5-2)16(24-3)12-15(14)20(22)23/h11-13H,4-10H2,1-3H3
InChIKeyXRPPHQICQRYRKX-UHFFFAOYSA-N
XLogP3.80
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
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-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
CID 134060927
N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide
CID 51268497
N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36681735
N-cyclooctyl-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 35532421
2-[(4-ethoxy-5-methoxy-2-nitrobenzoyl)-methylamino]acetic acid
CID 119172192
N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide
CID 52574017
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone
CID 9489998
(3S)-1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-3-carboxylic acid
CID 119113717
3-cyclohexyl-1-[4-(5-ethoxy-4-methoxy-2-nitrobenzoyl)piperazin-1-yl]propan-1-one
CID 55915296
2-cyclohexyl-1-(4,5-dimethoxy-2-nitrophenyl)ethanone
CID 12630327
1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide
CID 32978677
cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone
CID 89436250

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide?
The IUPAC name of N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide (CID 24632569) is N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide.
What is the SMILES notation for N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide?
The canonical SMILES for N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide is CCOc1cc(C(=O)N(CC)C2CCCCC2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide?
The InChIKey is XRPPHQICQRYRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-4-19(13-9-7-6-8-10-13)18(21)14-11-17(25-5-2)16(24-3)12-15(14)20(22)23/h11-13H,4-10H2,1-3H3.
What are the key properties of N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide?
N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide is sourced from PubChem (CID 24632569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).