N-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C14H23NO3 — CID 19245426

IUPACN-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCCN(CCO)C(=O)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C14H23NO3/c1-2-15(6-7-16)14(18)12-8-10-4-3-5-11(9-12)13(10)17/h10-12,16H,2-9H2,1H3
InChIKeyXRNXRSOEFBSLCS-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.22
Rot. Bonds4

About N-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 19245426) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID19245426
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCCN(CCO)C(=O)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C14H23NO3/c1-2-15(6-7-16)14(18)12-8-10-4-3-5-11(9-12)13(10)17/h10-12,16H,2-9H2,1H3
InChIKeyXRNXRSOEFBSLCS-UHFFFAOYSA-N
XLogP1.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 19245426) is N-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is CCN(CCO)C(=O)C1CC2CCCC(C1)C2=O.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is XRNXRSOEFBSLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-15(6-7-16)14(18)12-8-10-4-3-5-11(9-12)13(10)17/h10-12,16H,2-9H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 19245426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).