2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide

C20H27NO — CID 5029502

IUPAC2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27NO/c1-14-2-4-15(5-3-14)13-21-19(22)12-20-9-16-6-17(10-20)8-18(7-16)11-20/h2-5,16-18H,6-13H2,1H3,(H,21,22)
InChIKeyDZVQYYFKBHNVPQ-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.22
Rot. Bonds4

About 2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide

2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 5029502) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID5029502
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27NO/c1-14-2-4-15(5-3-14)13-21-19(22)12-20-9-16-6-17(10-20)8-18(7-16)11-20/h2-5,16-18H,6-13H2,1H3,(H,21,22)
InChIKeyDZVQYYFKBHNVPQ-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide (CID 5029502) is 2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is DZVQYYFKBHNVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-14-2-4-15(5-3-14)13-21-19(22)12-20-9-16-6-17(10-20)8-18(7-16)11-20/h2-5,16-18H,6-13H2,1H3,(H,21,22).
What are the key properties of 2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide?
2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 297.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 5029502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).