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

C14H21N3O4 — CID 43472697

IUPACN-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide
SMILESCCNCc1cc([N+](=O)[O-])ccc1OC(C)C(=O)NCC
InChIInChI=1S/C14H21N3O4/c1-4-15-9-11-8-12(17(19)20)6-7-13(11)21-10(3)14(18)16-5-2/h6-8,10,15H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyIKQBKCFJDWJILG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.61
Rot. Bonds8

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

N-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide (PubChem CID 43472697) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide
PubChem CID43472697
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide
SMILESCCNCc1cc([N+](=O)[O-])ccc1OC(C)C(=O)NCC
InChIInChI=1S/C14H21N3O4/c1-4-15-9-11-8-12(17(19)20)6-7-13(11)21-10(3)14(18)16-5-2/h6-8,10,15H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyIKQBKCFJDWJILG-UHFFFAOYSA-N
XLogP1.61
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.61
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'}

Analyze N-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide
CID 43472642
(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 9410254
2-[2-(methylaminomethyl)-4-nitrophenoxy]-N-prop-2-ynylpropanamide
CID 60887470
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
N-[(5-nitro-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43472747
N-[[2-(4-methylpentoxy)-5-nitrophenyl]methyl]ethanamine
CID 83152213
2-[2-(aminomethyl)-4-nitrophenoxy]-N-carbamoylpropanamide
CID 43472575
N-[(2-butoxy-5-nitrophenyl)methyl]ethanamine
CID 43472693
N-ethyl-2-[4-methoxy-2-(methylaminomethyl)phenoxy]propanamide
CID 43276266
(2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide
CID 8601126
2-[2-(aminomethyl)-4-nitrophenoxy]-N-tert-butylpropanamide
CID 43472580
2-[2-(ethylaminomethyl)-4-nitrophenoxy]-N-propylacetamide
CID 43472704

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide?
The IUPAC name of N-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide (CID 43472697) is N-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide.
What is the SMILES notation for N-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide?
The canonical SMILES for N-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide is CCNCc1cc([N+](=O)[O-])ccc1OC(C)C(=O)NCC.
What is the InChIKey of N-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide?
The InChIKey is IKQBKCFJDWJILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-15-9-11-8-12(17(19)20)6-7-13(11)21-10(3)14(18)16-5-2/h6-8,10,15H,4-5,9H2,1-3H3,(H,16,18).
What are the key properties of N-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide?
N-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide has a molecular weight of 295.34 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide is sourced from PubChem (CID 43472697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).