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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Related Compounds

1-(4-Methoxyphenyl)-1H-imidazole
CID 82328
N-(4-ethoxyphenyl)-N'-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 2969796
1-(3-Imidazol-1-ylpropyl)-3-(4-methoxyphenyl)thiourea
CID 2917732
1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]urea
CID 6539194
1-(4-Butoxy-phenyl)-1H-imidazole
CID 11321889
4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine
CID 44341256
1-[4-[4-(Dimethylamino)butoxy]-3-methoxyphenyl]-3-[3-(5-methylimidazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)urea
CID 166631429
2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 709685
N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide
CID 2914863
1-(3-(1H-imidazol-1-yl)propyl)-3-(4-(benzyloxy)phenyl)thiourea
CID 6539188
N-(4-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propoxy)phenyl)acetamide (2g)
CID 91937745
1-(2-Ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
CID 4032222

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).