(5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide

C24H32N2O2 — CID 52939378

IUPAC(5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)N1C2CC[C@H]1CC(c1ccccc1)C2
InChIInChI=1S/C24H32N2O2/c27-23(25-22-18-8-15-9-19(22)14-24(28,12-15)13-18)26-20-6-7-21(26)11-17(10-20)16-4-2-1-3-5-16/h1-5,15,17-22,28H,6-14H2,(H,25,27)/t15?,17?,18?,19?,20-,21?,22?,24?/m0/s1
InChIKeyMBBGBRNUJBYZOM-OJLPCPNBSA-N
MW380.53 g/mol
LogP4.05
Rot. Bonds2

About (5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide

(5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 52939378) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID52939378
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)N1C2CC[C@H]1CC(c1ccccc1)C2
InChIInChI=1S/C24H32N2O2/c27-23(25-22-18-8-15-9-19(22)14-24(28,12-15)13-18)26-20-6-7-21(26)11-17(10-20)16-4-2-1-3-5-16/h1-5,15,17-22,28H,6-14H2,(H,25,27)/t15?,17?,18?,19?,20-,21?,22?,24?/m0/s1
InChIKeyMBBGBRNUJBYZOM-OJLPCPNBSA-N
XLogP4.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-adamantyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
CID 46231491
4-(4-Fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
CID 57495564
4-(3,4-Difluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
CID 57495576
4-(3-Fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
CID 57495578
4-(2,4-Difluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
CID 57495580
1-(5-Hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 57495585
4-(2-Fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
CID 66593118
5-(2-Fluorophenyl)-1-(5-hydroxy-2-adamantyl)-5-methylimidazolidin-2-one
CID 68903607
1-[4-(2-Fluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one
CID 68903608
5-(2,4-Difluorophenyl)-1-(5-hydroxy-2-adamantyl)-5-methylimidazolidin-2-one
CID 68903643
1-[4-(2,4-Difluorophenyl)-5-hydroxy-2-adamantyl]-4-methylimidazolidin-2-one
CID 68903646
1-(5-Hydroxy-2-adamantyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-ium-2-one
CID 68903669

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 52939378) is (5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)N1C2CC[C@H]1CC(c1ccccc1)C2.
What is the InChIKey of (5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is MBBGBRNUJBYZOM-OJLPCPNBSA-N. The full InChI is InChI=1S/C24H32N2O2/c27-23(25-22-18-8-15-9-19(22)14-24(28,12-15)13-18)26-20-6-7-21(26)11-17(10-20)16-4-2-1-3-5-16/h1-5,15,17-22,28H,6-14H2,(H,25,27)/t15?,17?,18?,19?,20-,21?,22?,24?/m0/s1.
What are the key properties of (5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
(5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 52939378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).