N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide

C15H18N4O2 — CID 2890255

IUPACN-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C15H18N4O2/c1-12-4-2-5-13(10-12)18-15(21)14(20)17-6-3-8-19-9-7-16-11-19/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyWQVNDTCXMFNTEY-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.34
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide

N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide (PubChem CID 2890255) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
PubChem CID2890255
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C15H18N4O2/c1-12-4-2-5-13(10-12)18-15(21)14(20)17-6-3-8-19-9-7-16-11-19/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyWQVNDTCXMFNTEY-UHFFFAOYSA-N
XLogP1.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.34
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'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 2883621
N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3145465
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide
CID 21367526
methyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate
CID 100664991
ethyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate
CID 100665007
N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3107625
1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
CID 4506024
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 4144744
N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide
CID 110446281
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide (CID 2890255) is N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NCCCn2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide?
The InChIKey is WQVNDTCXMFNTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-12-4-2-5-13(10-12)18-15(21)14(20)17-6-3-8-19-9-7-16-11-19/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide?
N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide has a molecular weight of 286.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 2890255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).