1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone

C16H25NO3 — CID 81196275

IUPAC1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(N1CCOC(CO)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO3/c18-10-14-9-17(1-2-20-14)15(19)16-6-11-3-12(7-16)5-13(4-11)8-16/h11-14,18H,1-10H2
InChIKeyCAOXCHUUDIDQFJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.42
Rot. Bonds2

About 1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone

1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81196275) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81196275
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(N1CCOC(CO)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO3/c18-10-14-9-17(1-2-20-14)15(19)16-6-11-3-12(7-16)5-13(4-11)8-16/h11-14,18H,1-10H2
InChIKeyCAOXCHUUDIDQFJ-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-adamantyl(1,4,7,10,13,16-hexaoxa-19-azacyclohenicos-19-yl)methanone
CID 19387509
1-adamantyl(1,3-oxazinan-3-yl)methanone
CID 110739642
[1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203715
(1-aminocyclohexyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone;hydrochloride
CID 119322376
1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 25281285
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713
(E)-4-[2-(hydroxymethyl)morpholin-4-yl]-4-oxobut-2-enoic acid
CID 81203259
2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid
CID 119248000
[2-(hydroxymethyl)morpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 81209075
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of 1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81196275) is 1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for 1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for 1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone is O=C(N1CCOC(CO)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is CAOXCHUUDIDQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c18-10-14-9-17(1-2-20-14)15(19)16-6-11-3-12(7-16)5-13(4-11)8-16/h11-14,18H,1-10H2.
What are the key properties of 1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone?
1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 279.38 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81196275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).