4-(2-amino-2-methylpropoxy)-3-nitrobenzamide

C11H15N3O4 — CID 64537194

IUPAC4-(2-amino-2-methylpropoxy)-3-nitrobenzamide
SMILESCC(C)(N)COc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-11(2,13)6-18-9-4-3-7(10(12)15)5-8(9)14(16)17/h3-5H,6,13H2,1-2H3,(H2,12,15)
InChIKeyRRFWHSGOXLVMAK-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.81
Rot. Bonds5

About 4-(2-amino-2-methylpropoxy)-3-nitrobenzamide

4-(2-amino-2-methylpropoxy)-3-nitrobenzamide (PubChem CID 64537194) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropoxy)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(2-amino-2-methylpropoxy)-3-nitrobenzamide
PubChem CID64537194
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-(2-amino-2-methylpropoxy)-3-nitrobenzamide
SMILESCC(C)(N)COc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-11(2,13)6-18-9-4-3-7(10(12)15)5-8(9)14(16)17/h3-5H,6,13H2,1-2H3,(H2,12,15)
InChIKeyRRFWHSGOXLVMAK-UHFFFAOYSA-N
XLogP0.81
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.81
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'}

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Related Compounds

1-(4-bromo-2-nitrophenoxy)-2-methylpropan-2-amine
CID 64538603
3-nitro-4-(3-oxobutan-2-yloxy)benzamide
CID 62034378
3-(2-amino-2-methylpropoxy)-N-methyl-4-nitrobenzamide
CID 82989302
4-(2,2-diethoxyethoxy)-3-nitrobenzamide
CID 63628246
4-(2-amino-2-methylbutoxy)-N-methyl-3-nitrobenzamide
CID 82999750
4-(3-cyanopropoxy)-3-nitrobenzamide
CID 56636940
4-(2-amino-2-ethylbutoxy)-N-methyl-3-nitrobenzamide
CID 82993103
4-(4-carbamoyl-2-nitrophenoxy)-2-ethylbut-2-enoic acid
CID 77101030
4-(3,3-dimethylbutoxy)-3-nitrobenzoic acid
CID 61481124
4-(2-aminoethoxy)-3-nitrobenzoic acid
CID 69332360
4-ethyl-3-nitrobenzamide
CID 57169483
4-[(1-amino-2-methylpropan-2-yl)amino]-3-nitrobenzamide
CID 55163339

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropoxy)-3-nitrobenzamide?
The IUPAC name of 4-(2-amino-2-methylpropoxy)-3-nitrobenzamide (CID 64537194) is 4-(2-amino-2-methylpropoxy)-3-nitrobenzamide.
What is the SMILES notation for 4-(2-amino-2-methylpropoxy)-3-nitrobenzamide?
The canonical SMILES for 4-(2-amino-2-methylpropoxy)-3-nitrobenzamide is CC(C)(N)COc1ccc(C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-amino-2-methylpropoxy)-3-nitrobenzamide?
The InChIKey is RRFWHSGOXLVMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(2,13)6-18-9-4-3-7(10(12)15)5-8(9)14(16)17/h3-5H,6,13H2,1-2H3,(H2,12,15).
What are the key properties of 4-(2-amino-2-methylpropoxy)-3-nitrobenzamide?
4-(2-amino-2-methylpropoxy)-3-nitrobenzamide has a molecular weight of 253.26 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropoxy)-3-nitrobenzamide is sourced from PubChem (CID 64537194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).