2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone

C22H29NO2 — CID 98161318

IUPAC2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone
SMILESO=C(CN1CCOCC1)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H29NO2/c24-20(15-23-6-8-25-9-7-23)22-13-17-10-18(14-22)12-21(11-17,16-22)19-4-2-1-3-5-19/h1-5,17-18H,6-16H2/t17-,18-,21?,22?/m0/s1
InChIKeyIUISOIYTZCQMGT-HTAFUYNTSA-N
MW339.48 g/mol
LogP3.43
Rot. Bonds4

About 2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone

2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone (PubChem CID 98161318) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone
PubChem CID98161318
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone
SMILESO=C(CN1CCOCC1)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H29NO2/c24-20(15-23-6-8-25-9-7-23)22-13-17-10-18(14-22)12-21(11-17,16-22)19-4-2-1-3-5-19/h1-5,17-18H,6-16H2/t17-,18-,21?,22?/m0/s1
InChIKeyIUISOIYTZCQMGT-HTAFUYNTSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone
CID 98161319
2-(4-methylpiperazin-1-yl)-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone
CID 98163076
(5S,7S)-3-phenyladamantane-1-carboxylic acid
CID 98062703
2-(methylamino)-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone
CID 98161313
4-(4-methoxyphenyl)-4-morpholin-4-yl-1-(3-phenyl-1-adamantyl)butan-1-one
CID 158904841
1-(2-morpholin-4-ylethyl)-3-[[(5S,7S)-3-phenyl-1-adamantyl]methyl]urea
CID 98172439
2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone
CID 2874634
1-cyclopropyl-3-[4-(3-phenyladamantane-1-carbonyl)piperazin-1-yl]propan-2-one
CID 159393211
azepan-1-yl-[(5S,7R)-3-phenyl-1-adamantyl]methanone
CID 52510423
1-[(5S,7R)-3-phenyl-1-adamantyl]-2-piperidin-1-ium-1-ylethanone
CID 7471204
(4-methylpiperidin-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone
CID 52510430
1,4-diazepan-1-yl-(3-phenyl-1-adamantyl)methanone
CID 130269344

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone (CID 98161318) is 2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone is O=C(CN1CCOCC1)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone?
The InChIKey is IUISOIYTZCQMGT-HTAFUYNTSA-N. The full InChI is InChI=1S/C22H29NO2/c24-20(15-23-6-8-25-9-7-23)22-13-17-10-18(14-22)12-21(11-17,16-22)19-4-2-1-3-5-19/h1-5,17-18H,6-16H2/t17-,18-,21?,22?/m0/s1.
What are the key properties of 2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone?
2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone has a molecular weight of 339.48 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone is sourced from PubChem (CID 98161318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).