2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide

C11H15N3O4 — CID 110000875

IUPAC2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide
SMILESCC(C)(CO)NC(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C11H15N3O4/c1-11(2,6-15)13-10(16)7-4-3-5-8(9(7)12)14(17)18/h3-5,15H,6,12H2,1-2H3,(H,13,16)
InChIKeyIOEHMDXXMRMJRP-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.68
Rot. Bonds4

About 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide

2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide (PubChem CID 110000875) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide
PubChem CID110000875
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide
SMILESCC(C)(CO)NC(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C11H15N3O4/c1-11(2,6-15)13-10(16)7-4-3-5-8(9(7)12)14(17)18/h3-5,15H,6,12H2,1-2H3,(H,13,16)
InChIKeyIOEHMDXXMRMJRP-UHFFFAOYSA-N
XLogP0.68
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-amino-N-(1-amino-2,3-dimethylbutan-2-yl)-3-nitrobenzamide;hydrochloride
CID 119606725
2-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-nitrobenzamide
CID 119598454
2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 20715419
2-amino-N-(2-ethylbutyl)-3-nitrobenzamide
CID 115678977
2-amino-N-(3-ethylpentan-2-yl)-3-nitrobenzamide
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2-amino-3-nitro-N-octylbenzamide
CID 115936915
tert-butyl N-[4-[(2-amino-3-nitrobenzoyl)amino]cyclohexyl]carbamate
CID 150638066
2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide
CID 115678620
3-amino-N-(2-methylbutan-2-yl)-2-nitrobenzamide
CID 115548201
2-amino-3-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 103732898
2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120827594
N-(1-hydroxy-2-methylbutan-2-yl)-2-nitrobenzamide
CID 64557384

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide?
The IUPAC name of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide (CID 110000875) is 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide is CC(C)(CO)NC(=O)c1cccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide?
The InChIKey is IOEHMDXXMRMJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(2,6-15)13-10(16)7-4-3-5-8(9(7)12)14(17)18/h3-5,15H,6,12H2,1-2H3,(H,13,16).
What are the key properties of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide?
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide has a molecular weight of 253.26 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide is sourced from PubChem (CID 110000875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).