N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide

C12H16N2O5 — CID 43500706

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide
SMILESCC(C)(CO)NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O5/c1-12(2,8-15)13-11(16)7-19-10-5-3-4-9(6-10)14(17)18/h3-6,15H,7-8H2,1-2H3,(H,13,16)
InChIKeyFOMGSHSSQSRQIZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.86
Rot. Bonds6

About N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide (PubChem CID 43500706) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide
PubChem CID43500706
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide
SMILESCC(C)(CO)NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O5/c1-12(2,8-15)13-11(16)7-19-10-5-3-4-9(6-10)14(17)18/h3-6,15H,7-8H2,1-2H3,(H,13,16)
InChIKeyFOMGSHSSQSRQIZ-UHFFFAOYSA-N
XLogP0.86
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.86
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 N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide 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-methyl-2-[[2-(3-nitrophenoxy)acetyl]amino]pentanoic acid
CID 119191900
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-nitrophenoxy)acetamide
CID 7865319
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440
N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
CID 7865052
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
CID 115869814
N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 8586964
2-[[2-(3-nitrophenoxy)acetyl]amino]butanoic acid
CID 43469185
N-(1-hydroxypentan-3-yl)-2-(3-nitrophenoxy)acetamide
CID 115735196
N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
CID 9012174
1-methoxy-3-(3-nitrophenoxy)propan-2-one
CID 107508001
2-(3-nitrophenoxy)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7865569
N-(4-methylsulfanylphenyl)-2-(3-nitrophenoxy)acetamide
CID 51287734

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide (CID 43500706) is N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide is CC(C)(CO)NC(=O)COc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide?
The InChIKey is FOMGSHSSQSRQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-12(2,8-15)13-11(16)7-19-10-5-3-4-9(6-10)14(17)18/h3-6,15H,7-8H2,1-2H3,(H,13,16).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide has a molecular weight of 268.27 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 43500706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).