(2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide

C17H27NO2 — CID 7922706

IUPAC(2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO2/c1-11(18-16(19)15-3-2-4-20-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h11-15H,2-10H2,1H3,(H,18,19)/t11-,12?,13?,14?,15+,17?/m0/s1
InChIKeyGFGXJLQKFSTLFN-DVMIWYLISA-N
MW277.41 g/mol
LogP2.89
Rot. Bonds3

About (2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide

(2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide (PubChem CID 7922706) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide
PubChem CID7922706
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO2/c1-11(18-16(19)15-3-2-4-20-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h11-15H,2-10H2,1H3,(H,18,19)/t11-,12?,13?,14?,15+,17?/m0/s1
InChIKeyGFGXJLQKFSTLFN-DVMIWYLISA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide (CID 7922706) is (2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide is C[C@H](NC(=O)[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide?
The InChIKey is GFGXJLQKFSTLFN-DVMIWYLISA-N. The full InChI is InChI=1S/C17H27NO2/c1-11(18-16(19)15-3-2-4-20-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h11-15H,2-10H2,1H3,(H,18,19)/t11-,12?,13?,14?,15+,17?/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide?
(2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 7922706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).