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

C12H20N4O2 — CID 565508

IUPACN-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
SMILESCCCCNC(=O)C(=O)NCCCn1ccnc1
InChIInChI=1S/C12H20N4O2/c1-2-3-5-14-11(17)12(18)15-6-4-8-16-9-7-13-10-16/h7,9-10H,2-6,8H2,1H3,(H,14,17)(H,15,18)
InChIKeyRFGUZMMUIQZQLV-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.31
Rot. Bonds7

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

N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide (PubChem CID 565508) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide.

Molecular Properties

Compound NameN-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
PubChem CID565508
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
SMILESCCCCNC(=O)C(=O)NCCCn1ccnc1
InChIInChI=1S/C12H20N4O2/c1-2-3-5-14-11(17)12(18)15-6-4-8-16-9-7-13-10-16/h7,9-10H,2-6,8H2,1H3,(H,14,17)(H,15,18)
InChIKeyRFGUZMMUIQZQLV-UHFFFAOYSA-N
XLogP0.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.31
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-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
1-(3-imidazol-1-ylpropyl)-3-propylthiourea
CID 17374308
3-imidazol-1-ylpropylurea
CID 22179621
carbonic acid;1-dodecylimidazole
CID 175596781
acetic acid;1-decylimidazole
CID 175546754
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine
CID 111386093
(Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide
CID 143264856
N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 2883621
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
1-nonylimidazole;hydrobromide
CID 175434544
N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
CID 2890255

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide?
The IUPAC name of N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide (CID 565508) is N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide.
What is the SMILES notation for N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide?
The canonical SMILES for N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide is CCCCNC(=O)C(=O)NCCCn1ccnc1.
What is the InChIKey of N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide?
The InChIKey is RFGUZMMUIQZQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-3-5-14-11(17)12(18)15-6-4-8-16-9-7-13-10-16/h7,9-10H,2-6,8H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide?
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide has a molecular weight of 252.32 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide is sourced from PubChem (CID 565508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).