N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide

C22H33NO4 — CID 2932381

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NC(C)C2CC3CCC2C3)cc(OCC)c1OCC
InChIInChI=1S/C22H33NO4/c1-5-25-19-12-17(13-20(26-6-2)21(19)27-7-3)22(24)23-14(4)18-11-15-8-9-16(18)10-15/h12-16,18H,5-11H2,1-4H3,(H,23,24)
InChIKeyWCECWPCLDCUPKK-UHFFFAOYSA-N
MW375.51 g/mol
LogP4.44
Rot. Bonds9

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide (PubChem CID 2932381) has the molecular formula C22H33NO4 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide
PubChem CID2932381
Molecular FormulaC22H33NO4
Molecular Weight375.51 g/mol
Exact Mass375.24
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NC(C)C2CC3CCC2C3)cc(OCC)c1OCC
InChIInChI=1S/C22H33NO4/c1-5-25-19-12-17(13-20(26-6-2)21(19)27-7-3)22(24)23-14(4)18-11-15-8-9-16(18)10-15/h12-16,18H,5-11H2,1-4H3,(H,23,24)
InChIKeyWCECWPCLDCUPKK-UHFFFAOYSA-N
XLogP4.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide (CID 2932381) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NC(C)C2CC3CCC2C3)cc(OCC)c1OCC.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide?
The InChIKey is WCECWPCLDCUPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO4/c1-5-25-19-12-17(13-20(26-6-2)21(19)27-7-3)22(24)23-14(4)18-11-15-8-9-16(18)10-15/h12-16,18H,5-11H2,1-4H3,(H,23,24).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide has a molecular weight of 375.51 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 2932381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).