2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide

C20H28N2O2 — CID 59684629

IUPAC2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide
SMILESCC(C)(Nc1ccccc1)C(=O)NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2
InChIInChI=1S/C20H28N2O2/c1-19(2,22-16-6-4-3-5-7-16)18(23)21-17-14-8-13-9-15(17)12-20(24,10-13)11-14/h3-7,13-15,17,22,24H,8-12H2,1-2H3,(H,21,23)/t13?,14-,15+,17?,20?
InChIKeyTVHMSRWIYYWHPW-UUDGIEBZSA-N
MW328.46 g/mol
LogP2.93
Rot. Bonds4

About 2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide

2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide (PubChem CID 59684629) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide
PubChem CID59684629
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide
SMILESCC(C)(Nc1ccccc1)C(=O)NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2
InChIInChI=1S/C20H28N2O2/c1-19(2,22-16-6-4-3-5-7-16)18(23)21-17-14-8-13-9-15(17)12-20(24,10-13)11-14/h3-7,13-15,17,22,24H,8-12H2,1-2H3,(H,21,23)/t13?,14-,15+,17?,20?
InChIKeyTVHMSRWIYYWHPW-UUDGIEBZSA-N
XLogP2.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide?
The IUPAC name of 2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide (CID 59684629) is 2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide.
What is the SMILES notation for 2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide?
The canonical SMILES for 2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide is CC(C)(Nc1ccccc1)C(=O)NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2.
What is the InChIKey of 2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide?
The InChIKey is TVHMSRWIYYWHPW-UUDGIEBZSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-19(2,22-16-6-4-3-5-7-16)18(23)21-17-14-8-13-9-15(17)12-20(24,10-13)11-14/h3-7,13-15,17,22,24H,8-12H2,1-2H3,(H,21,23)/t13?,14-,15+,17?,20?.
What are the key properties of 2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide?
2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide has a molecular weight of 328.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpropanamide is sourced from PubChem (CID 59684629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).