N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide

C16H20N4O2 — CID 3145465

IUPACN'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCCn2ccnc2)c1C
InChIInChI=1S/C16H20N4O2/c1-12-5-3-6-14(13(12)2)19-16(22)15(21)18-7-4-9-20-10-8-17-11-20/h3,5-6,8,10-11H,4,7,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyYNAUPRIISISMQW-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.64
Rot. Bonds5

About N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide

N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide (PubChem CID 3145465) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
PubChem CID3145465
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCCn2ccnc2)c1C
InChIInChI=1S/C16H20N4O2/c1-12-5-3-6-14(13(12)2)19-16(22)15(21)18-7-4-9-20-10-8-17-11-20/h3,5-6,8,10-11H,4,7,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyYNAUPRIISISMQW-UHFFFAOYSA-N
XLogP1.64
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3107625
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide
CID 46339273
N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
CID 2890255
N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 2883621
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 42536590
1-(3-imidazol-1-ylpropyl)-3-(3-methyl-2-pyridinyl)thiourea
CID 100665297
1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 47032146
1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea
CID 56823902
1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569650
2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 2929720

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The IUPAC name of N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide (CID 3145465) is N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide is Cc1cccc(NC(=O)C(=O)NCCCn2ccnc2)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The InChIKey is YNAUPRIISISMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-5-3-6-14(13(12)2)19-16(22)15(21)18-7-4-9-20-10-8-17-11-20/h3,5-6,8,10-11H,4,7,9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide has a molecular weight of 300.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide is sourced from PubChem (CID 3145465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).