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

C14H22N4O2 — CID 3122124

IUPACN'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H22N4O2/c19-13(14(20)17-12-5-2-1-3-6-12)16-7-4-9-18-10-8-15-11-18/h8,10-12H,1-7,9H2,(H,16,19)(H,17,20)
InChIKeyFELIUKYGXNGBAU-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.84
Rot. Bonds5

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

N'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide (PubChem CID 3122124) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide
PubChem CID3122124
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H22N4O2/c19-13(14(20)17-12-5-2-1-3-6-12)16-7-4-9-18-10-8-15-11-18/h8,10-12H,1-7,9H2,(H,16,19)(H,17,20)
InChIKeyFELIUKYGXNGBAU-UHFFFAOYSA-N
XLogP0.84
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.84
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-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256
N-[3-(1H-imidazol-1-yl)propyl]-5-oxoprolinamide
CID 653923
N-cyclohexyl-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
CID 935604
N-cyclohexyl-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2997769
(5S)-3-[3-(1H-imidazol-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 7068409
N-cyclohexyl-1-methyl-5-nitroimidazole-2-carboxamide
CID 134135350
N-Hexyl-1H-imidazole-1-carboxamide
CID 19871863
2-(1h-Imidazol-1-Yl)-N-(Trans-4-Methylcyclohexyl)acetamide
CID 36795531
(S)-3-(3-(1H-imidazol-1-yl)propyl)-5-isobutylimidazolidine-2,4-dione
CID 7068386
N-cyclohexyl-2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]acetamide
CID 44054736
N-heptyl-2-imidazol-1-yl-acetamide
CID 44139805

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide?
The IUPAC name of N'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide (CID 3122124) is N'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide.
What is the SMILES notation for N'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide?
The canonical SMILES for N'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide is O=C(NCCCn1ccnc1)C(=O)NC1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide?
The InChIKey is FELIUKYGXNGBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-13(14(20)17-12-5-2-1-3-6-12)16-7-4-9-18-10-8-15-11-18/h8,10-12H,1-7,9H2,(H,16,19)(H,17,20).
What are the key properties of N'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide?
N'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide has a molecular weight of 278.36 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide is sourced from PubChem (CID 3122124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).