N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide

C19H21N3O5 — CID 108510472

IUPACN'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O5/c1-4-27-17-10-5-12(2)11-16(17)13(3)20-18(23)19(24)21-14-6-8-15(9-7-14)22(25)26/h5-11,13H,4H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyYPGWNGKKLYKMRS-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.12
Rot. Bonds6

About N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide

N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide (PubChem CID 108510472) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide
PubChem CID108510472
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O5/c1-4-27-17-10-5-12(2)11-16(17)13(3)20-18(23)19(24)21-14-6-8-15(9-7-14)22(25)26/h5-11,13H,4H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyYPGWNGKKLYKMRS-UHFFFAOYSA-N
XLogP3.12
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide 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-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
CID 108510568
N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
CID 108510594
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide
CID 108510519
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108510678
1-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(4-nitrophenyl)thiourea
CID 7470087
[4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate
CID 108865505
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 108510554
4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide
CID 9264106
4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108510494
N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-nitrophenyl)oxamide
CID 41452846
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 108510628

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide?
The IUPAC name of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide (CID 108510472) is N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide.
What is the SMILES notation for N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide?
The canonical SMILES for N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide is CCOc1ccc(C)cc1C(C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide?
The InChIKey is YPGWNGKKLYKMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-4-27-17-10-5-12(2)11-16(17)13(3)20-18(23)19(24)21-14-6-8-15(9-7-14)22(25)26/h5-11,13H,4H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide?
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide has a molecular weight of 371.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide is sourced from PubChem (CID 108510472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).