2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol

C14H20N2O4 — CID 102869080

IUPAC2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol
SMILESCCOc1cc(N(CCO)C2CCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O4/c1-2-20-14-9-12(8-13(10-14)16(18)19)15(6-7-17)11-4-3-5-11/h8-11,17H,2-7H2,1H3
InChIKeyRXPUOIAFNUMZTE-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.34
Rot. Bonds7

About 2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol

2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol (PubChem CID 102869080) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol.

Molecular Properties

Compound Name2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol
PubChem CID102869080
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol
SMILESCCOc1cc(N(CCO)C2CCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O4/c1-2-20-14-9-12(8-13(10-14)16(18)19)15(6-7-17)11-4-3-5-11/h8-11,17H,2-7H2,1H3
InChIKeyRXPUOIAFNUMZTE-UHFFFAOYSA-N
XLogP2.34
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.34
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'}

Analyze 2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-amino-N-cyclohexyl-5-nitroanilino)ethanol
CID 80811348
2-[N-(2,2-difluoroethyl)-3-ethoxy-5-nitroanilino]ethanol
CID 107484162
3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol
CID 102875541
2-(N-cyclobutyl-3-methyl-4-nitroanilino)ethanol
CID 102675216
1-[(3-ethoxy-N-methyl-5-nitroanilino)methyl]cyclopentan-1-ol
CID 114952070
2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 102869000
2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol
CID 102675312
2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol
CID 102675262
3-N-cyclopentyl-3-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80782218
2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol
CID 62543247
3-[1-(3-ethoxy-5-nitrophenyl)pyrrolidin-2-yl]propan-1-ol
CID 80744420
2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol
CID 106751554

Frequently Asked Questions

What is the IUPAC name of 2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol?
The IUPAC name of 2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol (CID 102869080) is 2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol.
What is the SMILES notation for 2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol?
The canonical SMILES for 2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol is CCOc1cc(N(CCO)C2CCC2)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol?
The InChIKey is RXPUOIAFNUMZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-20-14-9-12(8-13(10-14)16(18)19)15(6-7-17)11-4-3-5-11/h8-11,17H,2-7H2,1H3.
What are the key properties of 2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol?
2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol has a molecular weight of 280.32 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol is sourced from PubChem (CID 102869080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).