N-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide

C17H29N3O2 — CID 42796465

IUPACN-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide
SMILESCCCCCCCCN(Cc1ncc[nH]1)C(=O)C1CCOC1
InChIInChI=1S/C17H29N3O2/c1-2-3-4-5-6-7-11-20(13-16-18-9-10-19-16)17(21)15-8-12-22-14-15/h9-10,15H,2-8,11-14H2,1H3,(H,18,19)
InChIKeyORXZIWAGUMWAGH-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.14
Rot. Bonds10

About N-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide (PubChem CID 42796465) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide
PubChem CID42796465
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide
SMILESCCCCCCCCN(Cc1ncc[nH]1)C(=O)C1CCOC1
InChIInChI=1S/C17H29N3O2/c1-2-3-4-5-6-7-11-20(13-16-18-9-10-19-16)17(21)15-8-12-22-14-15/h9-10,15H,2-8,11-14H2,1H3,(H,18,19)
InChIKeyORXZIWAGUMWAGH-UHFFFAOYSA-N
XLogP3.14
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide (CID 42796465) is N-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide is CCCCCCCCN(Cc1ncc[nH]1)C(=O)C1CCOC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide?
The InChIKey is ORXZIWAGUMWAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-2-3-4-5-6-7-11-20(13-16-18-9-10-19-16)17(21)15-8-12-22-14-15/h9-10,15H,2-8,11-14H2,1H3,(H,18,19).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-octyloxolane-3-carboxamide is sourced from PubChem (CID 42796465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).