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

C17H22N4O3 — CID 2959270

IUPACN-(3-imidazol-1-ylpropyl)-N'-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C17H22N4O3/c1-2-12-24-15-6-4-14(5-7-15)20-17(23)16(22)19-8-3-10-21-11-9-18-13-21/h4-7,9,11,13H,2-3,8,10,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyBETFKVPUAHJMIH-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.82
Rot. Bonds8

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

N-(3-imidazol-1-ylpropyl)-N'-(4-propoxyphenyl)oxamide (PubChem CID 2959270) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N'-(4-propoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N'-(4-propoxyphenyl)oxamide
PubChem CID2959270
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-N'-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C17H22N4O3/c1-2-12-24-15-6-4-14(5-7-15)20-17(23)16(22)19-8-3-10-21-11-9-18-13-21/h4-7,9,11,13H,2-3,8,10,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyBETFKVPUAHJMIH-UHFFFAOYSA-N
XLogP1.82
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.82
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-(3-imidazol-1-ylpropyl)-N'-(4-propoxyphenyl)oxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N'-(4-propoxyphenyl)oxamide (CID 2959270) is N-(3-imidazol-1-ylpropyl)-N'-(4-propoxyphenyl)oxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N'-(4-propoxyphenyl)oxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N'-(4-propoxyphenyl)oxamide is CCCOc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N'-(4-propoxyphenyl)oxamide?
The InChIKey is BETFKVPUAHJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-12-24-15-6-4-14(5-7-15)20-17(23)16(22)19-8-3-10-21-11-9-18-13-21/h4-7,9,11,13H,2-3,8,10,12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-imidazol-1-ylpropyl)-N'-(4-propoxyphenyl)oxamide?
N-(3-imidazol-1-ylpropyl)-N'-(4-propoxyphenyl)oxamide has a molecular weight of 330.39 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-N'-(4-propoxyphenyl)oxamide is sourced from PubChem (CID 2959270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).