N-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide

C15H25NO2 — CID 3110946

IUPACN-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
SMILESCOCCNC(=O)C12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-18-5-4-16-14(17)15-8-11-2-3-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyVNTLWDQQMXVXRO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.36
Rot. Bonds4

About N-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide

N-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide (PubChem CID 3110946) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
PubChem CID3110946
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
SMILESCOCCNC(=O)C12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-18-5-4-16-14(17)15-8-11-2-3-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyVNTLWDQQMXVXRO-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide (CID 3110946) is N-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide is COCCNC(=O)C12CC3CCC(CC(C3)C1)C2.
What is the InChIKey of N-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide?
The InChIKey is VNTLWDQQMXVXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-18-5-4-16-14(17)15-8-11-2-3-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of N-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide?
N-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide is sourced from PubChem (CID 3110946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).