N-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide

C21H29NO2 — CID 10065028

IUPACN-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide
SMILESCc1cccc(C(C)(C)C(=O)NC2C3CC4CC2CC(O)(C4)C3)c1
InChIInChI=1S/C21H29NO2/c1-13-5-4-6-17(7-13)20(2,3)19(23)22-18-15-8-14-9-16(18)12-21(24,10-14)11-15/h4-7,14-16,18,24H,8-12H2,1-3H3,(H,22,23)
InChIKeyKALCNQQOYMSHHC-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.33
Rot. Bonds3

About N-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide

N-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide (PubChem CID 10065028) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide
PubChem CID10065028
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC NameN-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide
SMILESCc1cccc(C(C)(C)C(=O)NC2C3CC4CC2CC(O)(C4)C3)c1
InChIInChI=1S/C21H29NO2/c1-13-5-4-6-17(7-13)20(2,3)19(23)22-18-15-8-14-9-16(18)12-21(24,10-14)11-15/h4-7,14-16,18,24H,8-12H2,1-3H3,(H,22,23)
InChIKeyKALCNQQOYMSHHC-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide (CID 10065028) is N-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide is Cc1cccc(C(C)(C)C(=O)NC2C3CC4CC2CC(O)(C4)C3)c1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide?
The InChIKey is KALCNQQOYMSHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-13-5-4-6-17(7-13)20(2,3)19(23)22-18-15-8-14-9-16(18)12-21(24,10-14)11-15/h4-7,14-16,18,24H,8-12H2,1-3H3,(H,22,23).
What are the key properties of N-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide?
N-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide has a molecular weight of 327.47 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide is sourced from PubChem (CID 10065028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).