N-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide

C26H30N2O3 — CID 68798765

IUPACN-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide
SMILESO=C(CNCc1ccc(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)cc1)c1ccccc1
InChIInChI=1S/C26H30N2O3/c29-23(21-4-2-1-3-5-21)16-27-15-18-6-8-22(9-7-18)24(30)28-25-11-19-10-20(12-25)14-26(31,13-19)17-25/h1-9,19-20,27,31H,10-17H2,(H,28,30)
InChIKeyQHIMOCVPXMGHGE-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.47
Rot. Bonds7

About N-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide

N-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide (PubChem CID 68798765) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide
PubChem CID68798765
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide
SMILESO=C(CNCc1ccc(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)cc1)c1ccccc1
InChIInChI=1S/C26H30N2O3/c29-23(21-4-2-1-3-5-21)16-27-15-18-6-8-22(9-7-18)24(30)28-25-11-19-10-20(12-25)14-26(31,13-19)17-25/h1-9,19-20,27,31H,10-17H2,(H,28,30)
InChIKeyQHIMOCVPXMGHGE-UHFFFAOYSA-N
XLogP3.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide?
The IUPAC name of N-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide (CID 68798765) is N-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide.
What is the SMILES notation for N-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide?
The canonical SMILES for N-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide is O=C(CNCc1ccc(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)cc1)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide?
The InChIKey is QHIMOCVPXMGHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c29-23(21-4-2-1-3-5-21)16-27-15-18-6-8-22(9-7-18)24(30)28-25-11-19-10-20(12-25)14-26(31,13-19)17-25/h1-9,19-20,27,31H,10-17H2,(H,28,30).
What are the key properties of N-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide?
N-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide has a molecular weight of 418.54 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-adamantyl)-4-[(phenacylamino)methyl]benzamide is sourced from PubChem (CID 68798765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).