2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide

C13H19N3O4 — CID 60848957

IUPAC2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-4-7-13(2,14)12(17)15-10-6-5-9(20-3)8-11(10)16(18)19/h5-6,8H,4,7,14H2,1-3H3,(H,15,17)
InChIKeyNJIZYFVRWUNLDI-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.06
Rot. Bonds6

About 2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide

2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide (PubChem CID 60848957) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide
PubChem CID60848957
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-4-7-13(2,14)12(17)15-10-6-5-9(20-3)8-11(10)16(18)19/h5-6,8H,4,7,14H2,1-3H3,(H,15,17)
InChIKeyNJIZYFVRWUNLDI-UHFFFAOYSA-N
XLogP2.06
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.06
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

N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
CID 3140520
2-amino-N-(4-methoxy-2-methylphenyl)-2-methylpentanamide;hydrochloride
CID 119709502
2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide
CID 2934377
2-amino-2-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
CID 112557773
1-N-(4-methoxy-2-nitrophenyl)-2-methylpropane-1,2-diamine
CID 78954867
(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
CID 103928804
2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 4102535
2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 65225157
1-tert-butyl-3-(4-methoxy-2-nitrophenyl)thiourea
CID 2797798
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-3,3-dimethylbutanamide
CID 19189245

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide (CID 60848957) is 2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide?
The InChIKey is NJIZYFVRWUNLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-7-13(2,14)12(17)15-10-6-5-9(20-3)8-11(10)16(18)19/h5-6,8H,4,7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide?
2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide has a molecular weight of 281.31 g/mol, XLogP of 2.06, 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-methoxy-2-nitrophenyl)-2-methylpentanamide is sourced from PubChem (CID 60848957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).