3-amino-N-(4-methoxy-2-nitrophenyl)butanamide

C11H15N3O4 — CID 60835998

IUPAC3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)N)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O4/c1-7(12)5-11(15)13-9-4-3-8(18-2)6-10(9)14(16)17/h3-4,6-7H,5,12H2,1-2H3,(H,13,15)
InChIKeyNKVGDDHRZOCPGE-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.28
Rot. Bonds5

About 3-amino-N-(4-methoxy-2-nitrophenyl)butanamide

3-amino-N-(4-methoxy-2-nitrophenyl)butanamide (PubChem CID 60835998) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-amino-N-(4-methoxy-2-nitrophenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
PubChem CID60835998
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)N)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O4/c1-7(12)5-11(15)13-9-4-3-8(18-2)6-10(9)14(16)17/h3-4,6-7H,5,12H2,1-2H3,(H,13,15)
InChIKeyNKVGDDHRZOCPGE-UHFFFAOYSA-N
XLogP1.28
TPSA107.49 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 ≤ 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'}

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Related Compounds

4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847
3-amino-N-(4-chloro-2-nitrophenyl)butanamide
CID 60837665
2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide
CID 43708269
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 2915919
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
CID 103928804
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915263
N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
CID 60676291
1-N-(4-methoxy-2-nitrophenyl)butane-1,3-diamine
CID 63251342

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxy-2-nitrophenyl)butanamide?
The IUPAC name of 3-amino-N-(4-methoxy-2-nitrophenyl)butanamide (CID 60835998) is 3-amino-N-(4-methoxy-2-nitrophenyl)butanamide.
What is the SMILES notation for 3-amino-N-(4-methoxy-2-nitrophenyl)butanamide?
The canonical SMILES for 3-amino-N-(4-methoxy-2-nitrophenyl)butanamide is COc1ccc(NC(=O)CC(C)N)c([N+](=O)[O-])c1.
What is the InChIKey of 3-amino-N-(4-methoxy-2-nitrophenyl)butanamide?
The InChIKey is NKVGDDHRZOCPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7(12)5-11(15)13-9-4-3-8(18-2)6-10(9)14(16)17/h3-4,6-7H,5,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-N-(4-methoxy-2-nitrophenyl)butanamide?
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide has a molecular weight of 253.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxy-2-nitrophenyl)butanamide is sourced from PubChem (CID 60835998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).