(3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide

C18H23NO — CID 137435862

IUPAC(3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide
SMILESC[C@]12CC3CC(C(N)=O)(C1)C[C@@](c1ccccc1)(C3)C2
InChIInChI=1S/C18H23NO/c1-16-7-13-8-17(10-16,14-5-3-2-4-6-14)12-18(9-13,11-16)15(19)20/h2-6,13H,7-12H2,1H3,(H2,19,20)/t13?,16-,17-,18?/m1/s1
InChIKeyXHOLREYRAVVPEW-KJFXSAIASA-N
MW269.39 g/mol
LogP3.40
Rot. Bonds2

About (3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide

(3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide (PubChem CID 137435862) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide
PubChem CID137435862
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide
SMILESC[C@]12CC3CC(C(N)=O)(C1)C[C@@](c1ccccc1)(C3)C2
InChIInChI=1S/C18H23NO/c1-16-7-13-8-17(10-16,14-5-3-2-4-6-14)12-18(9-13,11-16)15(19)20/h2-6,13H,7-12H2,1H3,(H2,19,20)/t13?,16-,17-,18?/m1/s1
InChIKeyXHOLREYRAVVPEW-KJFXSAIASA-N
XLogP3.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,5R)-3-methyl-5-phenyladamantane-1-carboxylic acid
CID 137435972
2-cyclohexyl-1-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]ethanone
CID 158432369
N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide
CID 130269312
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733
(4-aminoazepan-1-yl)-(3-methyl-5-phenyl-1-adamantyl)methanone
CID 142519878
1-[(3S,5S)-3-methyl-5-phenyl-1-adamantyl]-2-[(2S,4S)-2-methylpiperidin-4-yl]ethanone
CID 159784980
1-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]-2-[(2R,4R)-2-methylpiperidin-4-yl]ethanone
CID 162166713
(3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 137436163
(3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 142520085
(3R,5R)-N-[(3S)-3-fluoropiperidin-4-ylidene]-3-methyl-5-phenyladamantane-1-carboxamide
CID 137435995
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]ethanone
CID 158432372
6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen
CID 142519943

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide?
The IUPAC name of (3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide (CID 137435862) is (3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide.
What is the SMILES notation for (3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide?
The canonical SMILES for (3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide is C[C@]12CC3CC(C(N)=O)(C1)C[C@@](c1ccccc1)(C3)C2.
What is the InChIKey of (3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide?
The InChIKey is XHOLREYRAVVPEW-KJFXSAIASA-N. The full InChI is InChI=1S/C18H23NO/c1-16-7-13-8-17(10-16,14-5-3-2-4-6-14)12-18(9-13,11-16)15(19)20/h2-6,13H,7-12H2,1H3,(H2,19,20)/t13?,16-,17-,18?/m1/s1.
What are the key properties of (3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide?
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide is sourced from PubChem (CID 137435862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).