2-(1-adamantyl)-N-benzylacetamide

C19H25NO — CID 3560004

IUPAC2-(1-adamantyl)-N-benzylacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccccc1
InChIInChI=1S/C19H25NO/c21-18(20-13-14-4-2-1-3-5-14)12-19-9-15-6-16(10-19)8-17(7-15)11-19/h1-5,15-17H,6-13H2,(H,20,21)
InChIKeyYQBDBDHKAYEANT-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.91
Rot. Bonds4

About 2-(1-adamantyl)-N-benzylacetamide

2-(1-adamantyl)-N-benzylacetamide (PubChem CID 3560004) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-benzylacetamide
PubChem CID3560004
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name2-(1-adamantyl)-N-benzylacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccccc1
InChIInChI=1S/C19H25NO/c21-18(20-13-14-4-2-1-3-5-14)12-19-9-15-6-16(10-19)8-17(7-15)11-19/h1-5,15-17H,6-13H2,(H,20,21)
InChIKeyYQBDBDHKAYEANT-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-(3-phenyl-1-adamantyl)acetamide
CID 2953915
2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 2741139
N-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide
CID 4149625
2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide
CID 8934558
2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
CID 35512081
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
CID 108539739
2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 46997008
[[2-(1-adamantyl)-2,2-dideuterioacetyl]amino] N-benzylcarbamate
CID 72712581
2-(1-adamantyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 78868533
N-[[3-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
CID 108923902
N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 108933649
2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 131949848

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-benzylacetamide?
The IUPAC name of 2-(1-adamantyl)-N-benzylacetamide (CID 3560004) is 2-(1-adamantyl)-N-benzylacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-benzylacetamide?
The canonical SMILES for 2-(1-adamantyl)-N-benzylacetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccccc1.
What is the InChIKey of 2-(1-adamantyl)-N-benzylacetamide?
The InChIKey is YQBDBDHKAYEANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c21-18(20-13-14-4-2-1-3-5-14)12-19-9-15-6-16(10-19)8-17(7-15)11-19/h1-5,15-17H,6-13H2,(H,20,21).
What are the key properties of 2-(1-adamantyl)-N-benzylacetamide?
2-(1-adamantyl)-N-benzylacetamide has a molecular weight of 283.41 g/mol, XLogP of 3.91, 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-benzylacetamide is sourced from PubChem (CID 3560004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).