N'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide

C17H25N3O4 — CID 108506572

IUPACN'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide
SMILESCCCCOCCCNC(=O)C(=O)N(C(C)=O)c1cccc(N)c1
InChIInChI=1S/C17H25N3O4/c1-3-4-10-24-11-6-9-19-16(22)17(23)20(13(2)21)15-8-5-7-14(18)12-15/h5,7-8,12H,3-4,6,9-11,18H2,1-2H3,(H,19,22)
InChIKeyKKLDDGYXLPKZRR-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.47
Rot. Bonds8

About N'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide

N'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide (PubChem CID 108506572) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide
PubChem CID108506572
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide
SMILESCCCCOCCCNC(=O)C(=O)N(C(C)=O)c1cccc(N)c1
InChIInChI=1S/C17H25N3O4/c1-3-4-10-24-11-6-9-19-16(22)17(23)20(13(2)21)15-8-5-7-14(18)12-15/h5,7-8,12H,3-4,6,9-11,18H2,1-2H3,(H,19,22)
InChIKeyKKLDDGYXLPKZRR-UHFFFAOYSA-N
XLogP1.47
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-butoxypropyl)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-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524279
N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide
CID 108508925
N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108526549
N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide
CID 108505286
N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108526611
1-(3-aminophenyl)-3-butyl-1-propylurea
CID 63230297
N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108526521
N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide
CID 108508050
2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
CID 82950283
3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide
CID 82950103
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide
CID 108525895

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide?
The IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide (CID 108506572) is N'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide.
What is the SMILES notation for N'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide?
The canonical SMILES for N'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide is CCCCOCCCNC(=O)C(=O)N(C(C)=O)c1cccc(N)c1.
What is the InChIKey of N'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide?
The InChIKey is KKLDDGYXLPKZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-3-4-10-24-11-6-9-19-16(22)17(23)20(13(2)21)15-8-5-7-14(18)12-15/h5,7-8,12H,3-4,6,9-11,18H2,1-2H3,(H,19,22).
What are the key properties of N'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide?
N'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide has a molecular weight of 335.40 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide is sourced from PubChem (CID 108506572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).