N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide

C13H19N3O4 — CID 43472642

IUPACN-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide
SMILESCCNC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1CNC
InChIInChI=1S/C13H19N3O4/c1-4-15-13(17)9(2)20-12-6-5-11(16(18)19)7-10(12)8-14-3/h5-7,9,14H,4,8H2,1-3H3,(H,15,17)
InChIKeyONGSWSZHILNSQE-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.22
Rot. Bonds7

About N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide

N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide (PubChem CID 43472642) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide
PubChem CID43472642
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide
SMILESCCNC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1CNC
InChIInChI=1S/C13H19N3O4/c1-4-15-13(17)9(2)20-12-6-5-11(16(18)19)7-10(12)8-14-3/h5-7,9,14H,4,8H2,1-3H3,(H,15,17)
InChIKeyONGSWSZHILNSQE-UHFFFAOYSA-N
XLogP1.22
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.22
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-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide
CID 43472697
2-[2-(methylaminomethyl)-4-nitrophenoxy]-N-prop-2-ynylpropanamide
CID 60887470
(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 9410254
N-ethyl-2-[4-methoxy-2-(methylaminomethyl)phenoxy]propanamide
CID 43276266
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
2-[2-(aminomethyl)-4-nitrophenoxy]-N-carbamoylpropanamide
CID 43472575
(2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide
CID 8601126
2-[2-(aminomethyl)-4-nitrophenoxy]-N-tert-butylpropanamide
CID 43472580
N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide
CID 107695175
2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide
CID 104889988
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylpropanamide
CID 116541821
N-methyl-1-[2-[2-(2-methylpropoxy)ethoxy]-5-nitrophenyl]methanamine
CID 106449890

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide?
The IUPAC name of N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide (CID 43472642) is N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide.
What is the SMILES notation for N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide?
The canonical SMILES for N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide is CCNC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1CNC.
What is the InChIKey of N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide?
The InChIKey is ONGSWSZHILNSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-15-13(17)9(2)20-12-6-5-11(16(18)19)7-10(12)8-14-3/h5-7,9,14H,4,8H2,1-3H3,(H,15,17).
What are the key properties of N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide?
N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide has a molecular weight of 281.31 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide is sourced from PubChem (CID 43472642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).