2-(3-nitro-5-propan-2-yloxyanilino)acetamide

C11H15N3O4 — CID 80722203

IUPAC2-(3-nitro-5-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1cc(NCC(N)=O)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O4/c1-7(2)18-10-4-8(13-6-11(12)15)3-9(5-10)14(16)17/h3-5,7,13H,6H2,1-2H3,(H2,12,15)
InChIKeyJLWWOGVRJCPIEO-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.28
Rot. Bonds6

About 2-(3-nitro-5-propan-2-yloxyanilino)acetamide

2-(3-nitro-5-propan-2-yloxyanilino)acetamide (PubChem CID 80722203) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(3-nitro-5-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound Name2-(3-nitro-5-propan-2-yloxyanilino)acetamide
PubChem CID80722203
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-(3-nitro-5-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1cc(NCC(N)=O)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O4/c1-7(2)18-10-4-8(13-6-11(12)15)3-9(5-10)14(16)17/h3-5,7,13H,6H2,1-2H3,(H2,12,15)
InChIKeyJLWWOGVRJCPIEO-UHFFFAOYSA-N
XLogP1.28
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.28
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 2-(3-nitro-5-propan-2-yloxyanilino)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

N-ethyl-3-nitro-5-propan-2-yloxyaniline
CID 80721910
ethyl 3-(3-nitro-5-propan-2-yloxyanilino)propanoate
CID 80733229
N',N'-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 80721618
2-[(3-nitro-5-propan-2-yloxyanilino)methyl]butanoic acid
CID 80743047
N-butyl-3-nitro-5-propan-2-yloxyaniline
CID 80722685
N-(2,2-dimethylbutyl)-3-nitro-5-propan-2-yloxyaniline
CID 103462392
2-ethyl-1-N-(3-nitro-5-propan-2-yloxyphenyl)butane-1,2-diamine
CID 115306241
N,2-dimethyl-N'-(3-nitro-5-propan-2-yloxyphenyl)propane-1,3-diamine
CID 115303118
1-cyclopropyl-2-(3-nitro-5-propan-2-yloxyanilino)ethanol
CID 80724196
2-(3-hydrazinyl-5-nitroanilino)acetamide
CID 80931618
N-(4-methylpentan-2-yl)-3-nitro-5-propan-2-yloxyaniline
CID 80724491
4-N-(3-nitro-5-propan-2-yloxyphenyl)benzene-1,4-diamine
CID 80743530

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitro-5-propan-2-yloxyanilino)acetamide?
The IUPAC name of 2-(3-nitro-5-propan-2-yloxyanilino)acetamide (CID 80722203) is 2-(3-nitro-5-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for 2-(3-nitro-5-propan-2-yloxyanilino)acetamide?
The canonical SMILES for 2-(3-nitro-5-propan-2-yloxyanilino)acetamide is CC(C)Oc1cc(NCC(N)=O)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-nitro-5-propan-2-yloxyanilino)acetamide?
The InChIKey is JLWWOGVRJCPIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7(2)18-10-4-8(13-6-11(12)15)3-9(5-10)14(16)17/h3-5,7,13H,6H2,1-2H3,(H2,12,15).
What are the key properties of 2-(3-nitro-5-propan-2-yloxyanilino)acetamide?
2-(3-nitro-5-propan-2-yloxyanilino)acetamide has a molecular weight of 253.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-5-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 80722203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).