N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide

C17H26N2O2 — CID 108515302

IUPACN'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C17H26N2O2/c1-5-7-12-19(11-6-2)17(21)16(20)18-15-10-8-9-13(3)14(15)4/h8-10H,5-7,11-12H2,1-4H3,(H,18,20)
InChIKeyUPZFHPSWGOEGQD-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.28
Rot. Bonds6

About N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide

N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide (PubChem CID 108515302) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide.

Molecular Properties

Compound NameN'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide
PubChem CID108515302
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C17H26N2O2/c1-5-7-12-19(11-6-2)17(21)16(20)18-15-10-8-9-13(3)14(15)4/h8-10H,5-7,11-12H2,1-4H3,(H,18,20)
InChIKeyUPZFHPSWGOEGQD-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide 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

1,1-dibutyl-3-(2,3-dimethylphenyl)urea
CID 4157557
N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide
CID 108509295
methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate
CID 108512395
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide
CID 108521655
N-(2-ethyl-6-methylphenyl)-N',N'-dipropyloxamide
CID 108512105
3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113115015
N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide
CID 108521591
N-(2,5-dimethylphenyl)-N',N'-dipropyloxamide
CID 108528705
N'-butyl-N-(4-iodophenyl)-N'-propyloxamide
CID 108521621
N-(4-hydroxy-2-methylphenyl)-N',N'-dipropyloxamide
CID 108509587
N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide
CID 108524625

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide?
The IUPAC name of N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide (CID 108515302) is N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide.
What is the SMILES notation for N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide?
The canonical SMILES for N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide is CCCCN(CCC)C(=O)C(=O)Nc1cccc(C)c1C.
What is the InChIKey of N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide?
The InChIKey is UPZFHPSWGOEGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-7-12-19(11-6-2)17(21)16(20)18-15-10-8-9-13(3)14(15)4/h8-10H,5-7,11-12H2,1-4H3,(H,18,20).
What are the key properties of N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide?
N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide has a molecular weight of 290.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide is sourced from PubChem (CID 108515302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).