4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide

C14H20N2O5 — CID 102561314

IUPAC4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide
SMILESCOC(C)(C)CC(C)NC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O5/c1-9(8-14(2,3)21-4)15-13(18)10-5-6-12(17)11(7-10)16(19)20/h5-7,9,17H,8H2,1-4H3,(H,15,18)
InChIKeyXVFZQSCYBHRDOQ-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.23
Rot. Bonds6

About 4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide

4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide (PubChem CID 102561314) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide
PubChem CID102561314
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide
SMILESCOC(C)(C)CC(C)NC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O5/c1-9(8-14(2,3)21-4)15-13(18)10-5-6-12(17)11(7-10)16(19)20/h5-7,9,17H,8H2,1-4H3,(H,15,18)
InChIKeyXVFZQSCYBHRDOQ-UHFFFAOYSA-N
XLogP2.23
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
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 4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide 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

4-bromo-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854996
4-hydroxy-N-[(2S)-1-methoxybutan-2-yl]-3-nitrobenzamide
CID 99576799
4-chloro-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104855063
4-hydroxy-N-(2-methoxy-1-phenylethyl)-3-nitrobenzamide
CID 102561312
4-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide
CID 99577391
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-3-nitrobenzamide
CID 79027938
N-[(2S)-1-methoxypropan-2-yl]-4-methylsulfanyl-3-nitrobenzamide
CID 41377475
N-(1-bromopropan-2-yl)-4-methyl-3-nitrobenzamide
CID 114310486
3-hydroxy-4-nitro-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
CID 95044749
N-(1-chloropropan-2-yl)-4-methyl-3-nitrobenzamide
CID 114299444
N-(1-chloropropan-2-yl)-3-methoxy-4-nitrobenzamide
CID 104784784
3-hydroxy-4-nitro-N-pent-4-en-2-ylbenzamide
CID 113237672

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide?
The IUPAC name of 4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide (CID 102561314) is 4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide?
The canonical SMILES for 4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide is COC(C)(C)CC(C)NC(=O)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide?
The InChIKey is XVFZQSCYBHRDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-9(8-14(2,3)21-4)15-13(18)10-5-6-12(17)11(7-10)16(19)20/h5-7,9,17H,8H2,1-4H3,(H,15,18).
What are the key properties of 4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide?
4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide has a molecular weight of 296.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide is sourced from PubChem (CID 102561314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).