N-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide

C17H18N2O3 — CID 141293160

IUPACN-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide
SMILESCNC(=O)C1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCOCC1
InChIInChI=1S/C17H18N2O3/c1-18-16(21)17(4-6-22-7-5-17)19-15(20)12-3-2-11-13-8-10(13)9-14(11)12/h2-3,9H,4-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyVWFKOVRNRAGZNJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.90
Rot. Bonds3

About N-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide

N-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide (PubChem CID 141293160) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide
PubChem CID141293160
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide
SMILESCNC(=O)C1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCOCC1
InChIInChI=1S/C17H18N2O3/c1-18-16(21)17(4-6-22-7-5-17)19-15(20)12-3-2-11-13-8-10(13)9-14(11)12/h2-3,9H,4-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyVWFKOVRNRAGZNJ-UHFFFAOYSA-N
XLogP0.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide?
The IUPAC name of N-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide (CID 141293160) is N-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide.
What is the SMILES notation for N-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide?
The canonical SMILES for N-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide is CNC(=O)C1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCOCC1.
What is the InChIKey of N-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide?
The InChIKey is VWFKOVRNRAGZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-18-16(21)17(4-6-22-7-5-17)19-15(20)12-3-2-11-13-8-10(13)9-14(11)12/h2-3,9H,4-8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide?
N-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbonylamino)oxane-4-carboxamide is sourced from PubChem (CID 141293160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).