N-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide

C21H25NO5 — CID 15163010

IUPACN-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide
SMILESCC1(NC(=O)c2ccccc2)COCCOc2ccccc2OCCOC1
InChIInChI=1S/C21H25NO5/c1-21(22-20(23)17-7-3-2-4-8-17)15-24-11-13-26-18-9-5-6-10-19(18)27-14-12-25-16-21/h2-10H,11-16H2,1H3,(H,22,23)
InChIKeyRBFHZEUNBBRXAO-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.68
Rot. Bonds2

About N-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide

N-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide (PubChem CID 15163010) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is N-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide.

Molecular Properties

Compound NameN-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide
PubChem CID15163010
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC NameN-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide
SMILESCC1(NC(=O)c2ccccc2)COCCOc2ccccc2OCCOC1
InChIInChI=1S/C21H25NO5/c1-21(22-20(23)17-7-3-2-4-8-17)15-24-11-13-26-18-9-5-6-10-19(18)27-14-12-25-16-21/h2-10H,11-16H2,1H3,(H,22,23)
InChIKeyRBFHZEUNBBRXAO-UHFFFAOYSA-N
XLogP2.68
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide?
The IUPAC name of N-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide (CID 15163010) is N-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide.
What is the SMILES notation for N-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide?
The canonical SMILES for N-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide is CC1(NC(=O)c2ccccc2)COCCOc2ccccc2OCCOC1.
What is the InChIKey of N-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide?
The InChIKey is RBFHZEUNBBRXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-21(22-20(23)17-7-3-2-4-8-17)15-24-11-13-26-18-9-5-6-10-19(18)27-14-12-25-16-21/h2-10H,11-16H2,1H3,(H,22,23).
What are the key properties of N-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide?
N-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide has a molecular weight of 371.43 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-7-yl)benzamide is sourced from PubChem (CID 15163010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).