2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide

C12H17N3O4 — CID 64605955

IUPAC2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide
SMILESCOCCC(C)NC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C12H17N3O4/c1-8(5-6-19-2)14-12(16)10-7-9(15(17)18)3-4-11(10)13/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyOSCOSESMLKGWQV-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.33
Rot. Bonds6

About 2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide

2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide (PubChem CID 64605955) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide
PubChem CID64605955
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide
SMILESCOCCC(C)NC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C12H17N3O4/c1-8(5-6-19-2)14-12(16)10-7-9(15(17)18)3-4-11(10)13/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyOSCOSESMLKGWQV-UHFFFAOYSA-N
XLogP1.33
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
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'}

Analyze 2-amino-N-(4-methoxybutan-2-yl)-5-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

2-amino-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzamide
CID 64643080
2-amino-N-(4-methoxybutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104587721
2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
CID 64602381
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide
CID 30481637
2-(2-bromo-4-nitrophenyl)-N-(4-methoxybutan-2-yl)acetamide
CID 71972552
2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide
CID 62059014
N-[(2S)-1-aminopropan-2-yl]-2-methyl-5-nitrobenzamide;hydrochloride
CID 120509207
N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-5-nitrobenzamide
CID 106156043
N-[(2R)-butan-2-yl]-2-chloro-5-nitrobenzamide
CID 40537964
2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide
CID 43419368
2-(dimethylamino)-N-(2-methoxyethyl)-5-nitrobenzamide
CID 29198574
2-iodo-N-(1-methoxy-3-methylbutan-2-yl)-5-nitrobenzamide
CID 65049385

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide?
The IUPAC name of 2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide (CID 64605955) is 2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide is COCCC(C)NC(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide?
The InChIKey is OSCOSESMLKGWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(5-6-19-2)14-12(16)10-7-9(15(17)18)3-4-11(10)13/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide?
2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide has a molecular weight of 267.28 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide is sourced from PubChem (CID 64605955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).