2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide

C18H23NO — CID 27835435

IUPAC2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
SMILESNC(=O)CC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C18H23NO/c19-16(20)11-17-7-13-6-14(8-17)10-18(9-13,12-17)15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H2,19,20)/t13-,14+,17?,18?
InChIKeyVGLSVSSKSIKWQA-MWABVPJASA-N
MW269.39 g/mol
LogP3.40
Rot. Bonds3

About 2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide

2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide (PubChem CID 27835435) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide.

Molecular Properties

Compound Name2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
PubChem CID27835435
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
SMILESNC(=O)CC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C18H23NO/c19-16(20)11-17-7-13-6-14(8-17)10-18(9-13,12-17)15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H2,19,20)/t13-,14+,17?,18?
InChIKeyVGLSVSSKSIKWQA-MWABVPJASA-N
XLogP3.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.40
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-amino-2-oxoethyl) (5S,7S)-3-phenyladamantane-1-carboxylate
CID 98406265
(5S,7S)-3-phenyladamantane-1-carboxylic acid
CID 98062703
N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
CID 974905
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5S,7S)-3-phenyl-1-adamantyl]acetamide
CID 98170747
2-(aminomethyl)-3-(3-phenyl-1-adamantyl)propane-1-sulfonic acid
CID 58052739
4-amino-1-(3-phenyl-1-adamantyl)butane-2-sulfonic acid
CID 58052941
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide
CID 153310944
N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide
CID 4160024
2-(methylamino)-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone
CID 98161313
2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide
CID 71524756
N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide
CID 98145472

Frequently Asked Questions

What is the IUPAC name of 2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide?
The IUPAC name of 2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide (CID 27835435) is 2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide.
What is the SMILES notation for 2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide?
The canonical SMILES for 2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide is NC(=O)CC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide?
The InChIKey is VGLSVSSKSIKWQA-MWABVPJASA-N. The full InChI is InChI=1S/C18H23NO/c19-16(20)11-17-7-13-6-14(8-17)10-18(9-13,12-17)15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H2,19,20)/t13-,14+,17?,18?.
What are the key properties of 2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide?
2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide has a molecular weight of 269.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide is sourced from PubChem (CID 27835435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).