N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide

C21H29NO — CID 59658227

IUPACN-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide
SMILESCc1ccccc1C(C)(C)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H29NO/c1-13-6-4-5-7-18(13)21(2,3)20(23)22-19-16-9-14-8-15(11-16)12-17(19)10-14/h4-7,14-17,19H,8-12H2,1-3H3,(H,22,23)
InChIKeyADKNJIBPDWGKCV-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.21
Rot. Bonds3

About N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide

N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide (PubChem CID 59658227) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide
PubChem CID59658227
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC NameN-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide
SMILESCc1ccccc1C(C)(C)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H29NO/c1-13-6-4-5-7-18(13)21(2,3)20(23)22-19-16-9-14-8-15(11-16)12-17(19)10-14/h4-7,14-17,19H,8-12H2,1-3H3,(H,22,23)
InChIKeyADKNJIBPDWGKCV-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide?
The IUPAC name of N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide (CID 59658227) is N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide?
The canonical SMILES for N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide is Cc1ccccc1C(C)(C)C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide?
The InChIKey is ADKNJIBPDWGKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-13-6-4-5-7-18(13)21(2,3)20(23)22-19-16-9-14-8-15(11-16)12-17(19)10-14/h4-7,14-17,19H,8-12H2,1-3H3,(H,22,23).
What are the key properties of N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide?
N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide has a molecular weight of 311.47 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide is sourced from PubChem (CID 59658227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).