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

C16H20N4O2 — CID 2861400

IUPACN-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NCCCn1ccnc1)c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-13(14-6-3-2-4-7-14)19-16(22)15(21)18-8-5-10-20-11-9-17-12-20/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,18,21)(H,19,22)
InChIKeyGNDBNQLTECGTLP-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.27
Rot. Bonds6

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

N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide (PubChem CID 2861400) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide
PubChem CID2861400
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NCCCn1ccnc1)c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-13(14-6-3-2-4-7-14)19-16(22)15(21)18-8-5-10-20-11-9-17-12-20/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,18,21)(H,19,22)
InChIKeyGNDBNQLTECGTLP-UHFFFAOYSA-N
XLogP1.27
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.27
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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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide (CID 2861400) is N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)NCCCn1ccnc1)c1ccccc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide?
The InChIKey is GNDBNQLTECGTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-13(14-6-3-2-4-7-14)19-16(22)15(21)18-8-5-10-20-11-9-17-12-20/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide?
N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide has a molecular weight of 300.36 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 2861400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).