N-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide

C21H25NO3 — CID 11244689

IUPACN-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide
SMILESCOC(CNC(=O)c1cc2ccc1CCc1ccc(cc1)CC2)OC
InChIInChI=1S/C21H25NO3/c1-24-20(25-2)14-22-21(23)19-13-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h3-6,10,12-13,20H,7-9,11,14H2,1-2H3,(H,22,23)
InChIKeyFJDVTLABSATKAV-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.92
Rot. Bonds5

About N-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide

N-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide (PubChem CID 11244689) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide
PubChem CID11244689
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide
SMILESCOC(CNC(=O)c1cc2ccc1CCc1ccc(cc1)CC2)OC
InChIInChI=1S/C21H25NO3/c1-24-20(25-2)14-22-21(23)19-13-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h3-6,10,12-13,20H,7-9,11,14H2,1-2H3,(H,22,23)
InChIKeyFJDVTLABSATKAV-UHFFFAOYSA-N
XLogP2.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide (CID 11244689) is N-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide is COC(CNC(=O)c1cc2ccc1CCc1ccc(cc1)CC2)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide?
The InChIKey is FJDVTLABSATKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-20(25-2)14-22-21(23)19-13-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h3-6,10,12-13,20H,7-9,11,14H2,1-2H3,(H,22,23).
What are the key properties of N-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide?
N-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide is sourced from PubChem (CID 11244689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).