1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone

C21H27NO2 — CID 25281285

IUPAC1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESO=C(N1CCO[C@@H](c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27NO2/c23-20(21-11-15-8-16(12-21)10-17(9-15)13-21)22-6-7-24-19(14-22)18-4-2-1-3-5-18/h1-5,15-17,19H,6-14H2/t15?,16?,17?,19-,21?/m1/s1
InChIKeyULPKQHPNGZQSRT-WRUMOOJNSA-N
MW325.45 g/mol
LogP3.80
Rot. Bonds2

About 1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone

1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone (PubChem CID 25281285) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone
PubChem CID25281285
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESO=C(N1CCO[C@@H](c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27NO2/c23-20(21-11-15-8-16(12-21)10-17(9-15)13-21)22-6-7-24-19(14-22)18-4-2-1-3-5-18/h1-5,15-17,19H,6-14H2/t15?,16?,17?,19-,21?/m1/s1
InChIKeyULPKQHPNGZQSRT-WRUMOOJNSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 146088807
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
2-amino-2-phenyl-1-(2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119278824
1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81196275
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
1-(2-phenylmorpholin-4-yl)but-2-en-1-one
CID 112727078
[2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110609508
2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone
CID 134040086
[2-(4-fluorophenyl)cyclopropyl]-(2-phenylmorpholin-4-yl)methanone
CID 134040067
[(2S)-oxolan-2-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 51710322
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
(4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone
CID 43057357

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of 1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone (CID 25281285) is 1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for 1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for 1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone is O=C(N1CCO[C@@H](c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone?
The InChIKey is ULPKQHPNGZQSRT-WRUMOOJNSA-N. The full InChI is InChI=1S/C21H27NO2/c23-20(21-11-15-8-16(12-21)10-17(9-15)13-21)22-6-7-24-19(14-22)18-4-2-1-3-5-18/h1-5,15-17,19H,6-14H2/t15?,16?,17?,19-,21?/m1/s1.
What are the key properties of 1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone?
1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone has a molecular weight of 325.45 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 25281285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).