(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide

C17H23NO2 — CID 35367348

IUPAC(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCO1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H23NO2/c1-12(18-17(19)16-7-4-10-20-16)14-9-8-13-5-2-3-6-15(13)11-14/h8-9,11-12,16H,2-7,10H2,1H3,(H,18,19)/t12-,16-/m1/s1
InChIKeyPDHFYVOXOQNVAQ-MLGOLLRUSA-N
MW273.38 g/mol
LogP2.92
Rot. Bonds3

About (2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide

(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide (PubChem CID 35367348) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide
PubChem CID35367348
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCO1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H23NO2/c1-12(18-17(19)16-7-4-10-20-16)14-9-8-13-5-2-3-6-15(13)11-14/h8-9,11-12,16H,2-7,10H2,1H3,(H,18,19)/t12-,16-/m1/s1
InChIKeyPDHFYVOXOQNVAQ-MLGOLLRUSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide (CID 35367348) is (2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide is C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc2c(c1)CCCC2.
What is the InChIKey of (2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is PDHFYVOXOQNVAQ-MLGOLLRUSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(18-17(19)16-7-4-10-20-16)14-9-8-13-5-2-3-6-15(13)11-14/h8-9,11-12,16H,2-7,10H2,1H3,(H,18,19)/t12-,16-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide?
(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 35367348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).