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

C13H19N3O4 — CID 43708269

IUPAC2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide
SMILESCOc1ccc(NC(=O)C(N)CC(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O4/c1-8(2)6-10(14)13(17)15-11-5-4-9(20-3)7-12(11)16(18)19/h4-5,7-8,10H,6,14H2,1-3H3,(H,15,17)
InChIKeyUMPOFFAOIPRSNU-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.92
Rot. Bonds6

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

2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide (PubChem CID 43708269) 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)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide
PubChem CID43708269
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide
SMILESCOc1ccc(NC(=O)C(N)CC(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O4/c1-8(2)6-10(14)13(17)15-11-5-4-9(20-3)7-12(11)16(18)19/h4-5,7-8,10H,6,14H2,1-3H3,(H,15,17)
InChIKeyUMPOFFAOIPRSNU-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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

(2S)-2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylsulfanylbutanamide
CID 61178396
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
CID 103928804
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
CID 60676291
(2R)-2-amino-N-(4-cyano-2-nitrophenyl)-4-methylpentanamide
CID 104903546
4-(4-methoxy-2-nitroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496515
(2S)-2-amino-N-(4,5-dimethyl-2-nitrophenyl)-4-methylpentanamide
CID 62099461
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-4-methylpentanamide
CID 61179493
2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 65225157
2-amino-N-(2-methoxy-5-nitrophenyl)-4-methylpentanamide
CID 43426915
N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide
CID 3394012

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide (CID 43708269) is 2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide is COc1ccc(NC(=O)C(N)CC(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide?
The InChIKey is UMPOFFAOIPRSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8(2)6-10(14)13(17)15-11-5-4-9(20-3)7-12(11)16(18)19/h4-5,7-8,10H,6,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide?
2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide has a molecular weight of 281.31 g/mol, XLogP of 1.92, 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)-4-methylpentanamide is sourced from PubChem (CID 43708269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).