N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide

C14H19N3O5 — CID 108524279

IUPACN'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
SMILESCC(=O)N(C(=O)C(=O)NCCOCCO)c1cccc(N)c1
InChIInChI=1S/C14H19N3O5/c1-10(19)17(12-4-2-3-11(15)9-12)14(21)13(20)16-5-7-22-8-6-18/h2-4,9,18H,5-8,15H2,1H3,(H,16,20)
InChIKeyKOQMWDKYDBLTEZ-UHFFFAOYSA-N
MW309.32 g/mol
LogP-0.73
Rot. Bonds6

About N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide

N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide (PubChem CID 108524279) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
PubChem CID108524279
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
SMILESCC(=O)N(C(=O)C(=O)NCCOCCO)c1cccc(N)c1
InChIInChI=1S/C14H19N3O5/c1-10(19)17(12-4-2-3-11(15)9-12)14(21)13(20)16-5-7-22-8-6-18/h2-4,9,18H,5-8,15H2,1H3,(H,16,20)
InChIKeyKOQMWDKYDBLTEZ-UHFFFAOYSA-N
XLogP-0.73
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]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'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide
CID 108506572
N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108526549
N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108526611
N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108526521
N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide
CID 108508050
N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide
CID 108525895
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930
N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide
CID 108526505
N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide
CID 108501598
N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108516382
2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate
CID 106592581
N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide
CID 108902379

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide (CID 108524279) is N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide.
What is the SMILES notation for N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The canonical SMILES for N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide is CC(=O)N(C(=O)C(=O)NCCOCCO)c1cccc(N)c1.
What is the InChIKey of N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The InChIKey is KOQMWDKYDBLTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-10(19)17(12-4-2-3-11(15)9-12)14(21)13(20)16-5-7-22-8-6-18/h2-4,9,18H,5-8,15H2,1H3,(H,16,20).
What are the key properties of N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide has a molecular weight of 309.32 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide is sourced from PubChem (CID 108524279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).