N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide

C11H15N3O4 — CID 60676291

IUPACN-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-7(12-2)11(15)13-9-5-4-8(18-3)6-10(9)14(16)17/h4-7,12H,1-3H3,(H,13,15)
InChIKeyAOGOUDHNJMZFOW-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.15
Rot. Bonds5

About N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide

N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide (PubChem CID 60676291) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
PubChem CID60676291
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-7(12-2)11(15)13-9-5-4-8(18-3)6-10(9)14(16)17/h4-7,12H,1-3H3,(H,13,15)
InChIKeyAOGOUDHNJMZFOW-UHFFFAOYSA-N
XLogP1.15
TPSA93.50 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 ≤ 51.15
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-(4-methoxy-2-nitroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496515
(2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 9445757
N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide
CID 55097088
2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide
CID 43708269
(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
CID 103928804
N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide
CID 3394012
methyl 2-(4-methoxy-2-nitroanilino)propanoate
CID 43515163
2-(azepan-1-yl)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 46630887
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941065
(2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 9275818

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide (CID 60676291) is N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide?
The InChIKey is AOGOUDHNJMZFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7(12-2)11(15)13-9-5-4-8(18-3)6-10(9)14(16)17/h4-7,12H,1-3H3,(H,13,15).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide?
N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide has a molecular weight of 253.26 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide is sourced from PubChem (CID 60676291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).