N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide

C17H23NO2 — CID 75870914

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide
SMILESO=C(NCC1CCCc2ccccc21)C1CCOCC1
InChIInChI=1S/C17H23NO2/c19-17(14-8-10-20-11-9-14)18-12-15-6-3-5-13-4-1-2-7-16(13)15/h1-2,4,7,14-15H,3,5-6,8-12H2,(H,18,19)
InChIKeyVPJXYZCNAIDVHL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.65
Rot. Bonds3

About N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide

N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide (PubChem CID 75870914) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide
PubChem CID75870914
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide
SMILESO=C(NCC1CCCc2ccccc21)C1CCOCC1
InChIInChI=1S/C17H23NO2/c19-17(14-8-10-20-11-9-14)18-12-15-6-3-5-13-4-1-2-7-16(13)15/h1-2,4,7,14-15H,3,5-6,8-12H2,(H,18,19)
InChIKeyVPJXYZCNAIDVHL-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide (CID 75870914) is N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide is O=C(NCC1CCCc2ccccc21)C1CCOCC1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide?
The InChIKey is VPJXYZCNAIDVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(14-8-10-20-11-9-14)18-12-15-6-3-5-13-4-1-2-7-16(13)15/h1-2,4,7,14-15H,3,5-6,8-12H2,(H,18,19).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide?
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 75870914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).