2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide

C17H27NO2 — CID 6457745

IUPAC2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC1CCCO1
InChIInChI=1S/C17H27NO2/c19-16(18-11-15-2-1-3-20-15)10-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15H,1-11H2,(H,18,19)
InChIKeyYUXNFIMLPPGXLX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.89
Rot. Bonds4

About 2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide

2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 6457745) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID6457745
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC1CCCO1
InChIInChI=1S/C17H27NO2/c19-16(18-11-15-2-1-3-20-15)10-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15H,1-11H2,(H,18,19)
InChIKeyYUXNFIMLPPGXLX-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide
CID 3979942
N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
CID 7079712
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] adamantane-1-carboxylate
CID 5213454
3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 46798188
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(5S,7S)-3-bromo-1-adamantyl]acetate
CID 23327099
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-(oxolan-2-ylmethylcarbamothioyl)adamantane-1-carboxamide
CID 54787534
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide (CID 6457745) is 2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCC1CCCO1.
What is the InChIKey of 2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is YUXNFIMLPPGXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c19-16(18-11-15-2-1-3-20-15)10-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15H,1-11H2,(H,18,19).
What are the key properties of 2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide?
2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 6457745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).