N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide

C11H15N3O4 — CID 60638823

IUPACN-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C11H15N3O4/c1-7(12-2)11(15)13-9-6-8(14(16)17)4-5-10(9)18-3/h4-7,12H,1-3H3,(H,13,15)
InChIKeyFMAURJOTIKUZFF-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.15
Rot. Bonds5

About N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide

N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide (PubChem CID 60638823) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide
PubChem CID60638823
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C11H15N3O4/c1-7(12-2)11(15)13-9-6-8(14(16)17)4-5-10(9)18-3/h4-7,12H,1-3H3,(H,13,15)
InChIKeyFMAURJOTIKUZFF-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

N-[4-[[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351370
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 55363375
2-amino-N-(2-methoxy-5-nitrophenyl)-4-methylpentanamide
CID 43426915
(2S)-N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 7815568
[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-(2-methylpropyl)azanium
CID 8933751
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
CID 60638642
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564228
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564232
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 2591165

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide (CID 60638823) is N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide?
The InChIKey is FMAURJOTIKUZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7(12-2)11(15)13-9-6-8(14(16)17)4-5-10(9)18-3/h4-7,12H,1-3H3,(H,13,15).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide?
N-(2-methoxy-5-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-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide is sourced from PubChem (CID 60638823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).