2-butoxy-N-cyclohexyl-5-nitrobenzamide

C17H24N2O4 — CID 139678176

IUPAC2-butoxy-N-cyclohexyl-5-nitrobenzamide
SMILESCCCCOc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O4/c1-2-3-11-23-16-10-9-14(19(21)22)12-15(16)17(20)18-13-7-5-4-6-8-13/h9-10,12-13H,2-8,11H2,1H3,(H,18,20)
InChIKeyCSTVUBWMEAWLEO-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.84
Rot. Bonds7

About 2-butoxy-N-cyclohexyl-5-nitrobenzamide

2-butoxy-N-cyclohexyl-5-nitrobenzamide (PubChem CID 139678176) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-butoxy-N-cyclohexyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-butoxy-N-cyclohexyl-5-nitrobenzamide
PubChem CID139678176
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-butoxy-N-cyclohexyl-5-nitrobenzamide
SMILESCCCCOc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O4/c1-2-3-11-23-16-10-9-14(19(21)22)12-15(16)17(20)18-13-7-5-4-6-8-13/h9-10,12-13H,2-8,11H2,1H3,(H,18,20)
InChIKeyCSTVUBWMEAWLEO-UHFFFAOYSA-N
XLogP3.84
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid
CID 110839554
N-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803
N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
CID 62414267
N-[(3R)-1-ethylpiperidin-1-ium-3-yl]-2-methoxy-5-nitrobenzamide
CID 6947735
2-(cycloheptylamino)-N-hexyl-5-nitrobenzamide
CID 22467514
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide
CID 17350012
2-[3-(cyclopropylamino)-3-oxopropoxy]-5-nitrobenzoic acid
CID 62628474
N-[(2-butoxy-5-nitrophenyl)methyl]cyclopropanamine
CID 43472781
N-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-cyclohexyl-5-nitrobenzamide?
The IUPAC name of 2-butoxy-N-cyclohexyl-5-nitrobenzamide (CID 139678176) is 2-butoxy-N-cyclohexyl-5-nitrobenzamide.
What is the SMILES notation for 2-butoxy-N-cyclohexyl-5-nitrobenzamide?
The canonical SMILES for 2-butoxy-N-cyclohexyl-5-nitrobenzamide is CCCCOc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-butoxy-N-cyclohexyl-5-nitrobenzamide?
The InChIKey is CSTVUBWMEAWLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-3-11-23-16-10-9-14(19(21)22)12-15(16)17(20)18-13-7-5-4-6-8-13/h9-10,12-13H,2-8,11H2,1H3,(H,18,20).
What are the key properties of 2-butoxy-N-cyclohexyl-5-nitrobenzamide?
2-butoxy-N-cyclohexyl-5-nitrobenzamide has a molecular weight of 320.39 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-cyclohexyl-5-nitrobenzamide is sourced from PubChem (CID 139678176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).