N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide

C17H25N3O4 — CID 108959754

IUPACN-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
SMILESCOCCCNC(=O)C(C)(C)C(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C17H25N3O4/c1-12(21)19-13-7-5-8-14(11-13)20-16(23)17(2,3)15(22)18-9-6-10-24-4/h5,7-8,11H,6,9-10H2,1-4H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyBEXGRDTZLKWJSE-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.76
Rot. Bonds8

About N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide

N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide (PubChem CID 108959754) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
PubChem CID108959754
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
SMILESCOCCCNC(=O)C(C)(C)C(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C17H25N3O4/c1-12(21)19-13-7-5-8-14(11-13)20-16(23)17(2,3)15(22)18-9-6-10-24-4/h5,7-8,11H,6,9-10H2,1-4H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyBEXGRDTZLKWJSE-UHFFFAOYSA-N
XLogP1.76
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide 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-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959753
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
methyl 3-[[2,2-dimethyl-3-oxo-3-(pentylamino)propanoyl]amino]benzoate
CID 108966429
N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959695
N-(2,4-dichlorophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959789
N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959798
N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959594
N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959609
N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153216
[3-(3-methoxypropylcarbamoylamino)phenyl] acetate
CID 108865105
N-(3-acetamidophenyl)-2-hydroxy-2-methylpropanamide
CID 103429382
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide (CID 108959754) is N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide is COCCCNC(=O)C(C)(C)C(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
The InChIKey is BEXGRDTZLKWJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12(21)19-13-7-5-8-14(11-13)20-16(23)17(2,3)15(22)18-9-6-10-24-4/h5,7-8,11H,6,9-10H2,1-4H3,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide has a molecular weight of 335.40 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108959754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).