N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide

C17H25N3O3 — CID 128611490

IUPACN-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide
SMILESNC(=O)C1CCC(CNC(=O)N2CC3C4C=CC(CC4)C3C2)O1
InChIInChI=1S/C17H25N3O3/c18-16(21)15-6-5-12(23-15)7-19-17(22)20-8-13-10-1-2-11(4-3-10)14(13)9-20/h1-2,10-15H,3-9H2,(H2,18,21)(H,19,22)
InChIKeyCGLDKXGISRWUCS-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.87
Rot. Bonds3

About N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide

N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide (PubChem CID 128611490) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide.

Molecular Properties

Compound NameN-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide
PubChem CID128611490
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide
SMILESNC(=O)C1CCC(CNC(=O)N2CC3C4C=CC(CC4)C3C2)O1
InChIInChI=1S/C17H25N3O3/c18-16(21)15-6-5-12(23-15)7-19-17(22)20-8-13-10-1-2-11(4-3-10)14(13)9-20/h1-2,10-15H,3-9H2,(H2,18,21)(H,19,22)
InChIKeyCGLDKXGISRWUCS-UHFFFAOYSA-N
XLogP0.87
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide with MolForge

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Related Compounds

5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid
CID 104959546
N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 124843428
5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 102962024
6-tert-butyl-N-[(5-carbamoyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 102559647
5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide
CID 119822338
5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide
CID 75380134
5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide
CID 119822336
5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide
CID 119946036
5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide
CID 167938136
5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride
CID 119345646
(2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 129403186
5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 120669246

Frequently Asked Questions

What is the IUPAC name of N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide?
The IUPAC name of N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide (CID 128611490) is N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide.
What is the SMILES notation for N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide?
The canonical SMILES for N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide is NC(=O)C1CCC(CNC(=O)N2CC3C4C=CC(CC4)C3C2)O1.
What is the InChIKey of N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide?
The InChIKey is CGLDKXGISRWUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c18-16(21)15-6-5-12(23-15)7-19-17(22)20-8-13-10-1-2-11(4-3-10)14(13)9-20/h1-2,10-15H,3-9H2,(H2,18,21)(H,19,22).
What are the key properties of N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide?
N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide is sourced from PubChem (CID 128611490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).