N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide

C18H24N4O3 — CID 580554

IUPACN'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
SMILESCCCCOc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C18H24N4O3/c1-2-3-13-25-16-7-5-15(6-8-16)21-18(24)17(23)20-9-4-11-22-12-10-19-14-22/h5-8,10,12,14H,2-4,9,11,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyLXDZMABRRJSBDZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.21
Rot. Bonds9

About N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide

N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide (PubChem CID 580554) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
PubChem CID580554
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
SMILESCCCCOc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C18H24N4O3/c1-2-3-13-25-16-7-5-15(6-8-16)21-18(24)17(23)20-9-4-11-22-12-10-19-14-22/h5-8,10,12,14H,2-4,9,11,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyLXDZMABRRJSBDZ-UHFFFAOYSA-N
XLogP2.21
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The IUPAC name of N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide (CID 580554) is N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide.
What is the SMILES notation for N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The canonical SMILES for N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide is CCCCOc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The InChIKey is LXDZMABRRJSBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-3-13-25-16-7-5-15(6-8-16)21-18(24)17(23)20-9-4-11-22-12-10-19-14-22/h5-8,10,12,14H,2-4,9,11,13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide has a molecular weight of 344.42 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide is sourced from PubChem (CID 580554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).