N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide

C23H22N2O6 — CID 18837892

IUPACN-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide
SMILESCCOc1ccc(NC(=O)C(C)Oc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H22N2O6/c1-3-29-20-13-14-21(22(15-20)25(27)28)24-23(26)16(2)30-18-9-11-19(12-10-18)31-17-7-5-4-6-8-17/h4-16H,3H2,1-2H3,(H,24,26)
InChIKeyJTUVTXZGEWHJOT-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.19
Rot. Bonds9

About N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide

N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide (PubChem CID 18837892) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide
PubChem CID18837892
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide
SMILESCCOc1ccc(NC(=O)C(C)Oc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H22N2O6/c1-3-29-20-13-14-21(22(15-20)25(27)28)24-23(26)16(2)30-18-9-11-19(12-10-18)31-17-7-5-4-6-8-17/h4-16H,3H2,1-2H3,(H,24,26)
InChIKeyJTUVTXZGEWHJOT-UHFFFAOYSA-N
XLogP5.19
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)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

(2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide
CID 7409386
2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
CID 53267271
(2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide
CID 7453838
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
2-amino-N-(4-ethoxy-2-nitrophenyl)-3-methylbutanamide
CID 60780427
N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide
CID 18170387
(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7212772
(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 7090808
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833634
2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53267146
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide
CID 2953745

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide (CID 18837892) is N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide is CCOc1ccc(NC(=O)C(C)Oc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide?
The InChIKey is JTUVTXZGEWHJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-3-29-20-13-14-21(22(15-20)25(27)28)24-23(26)16(2)30-18-9-11-19(12-10-18)31-17-7-5-4-6-8-17/h4-16H,3H2,1-2H3,(H,24,26).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide?
N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide has a molecular weight of 422.44 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide is sourced from PubChem (CID 18837892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).