2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide

C22H30N2O — CID 2958595

IUPAC2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1N1CCCC1
InChIInChI=1S/C22H30N2O/c25-21(15-22-12-16-9-17(13-22)11-18(10-16)14-22)23-19-5-1-2-6-20(19)24-7-3-4-8-24/h1-2,5-6,16-18H,3-4,7-15H2,(H,23,25)
InChIKeyAJXHAEFFOOFGTL-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.83
Rot. Bonds4

About 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide

2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 2958595) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID2958595
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1N1CCCC1
InChIInChI=1S/C22H30N2O/c25-21(15-22-12-16-9-17(13-22)11-18(10-16)14-22)23-19-5-1-2-6-20(19)24-7-3-4-8-24/h1-2,5-6,16-18H,3-4,7-15H2,(H,23,25)
InChIKeyAJXHAEFFOOFGTL-UHFFFAOYSA-N
XLogP4.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide
CID 46798897
N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 108933427
2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide
CID 3951233
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide
CID 17177126
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 98773906
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
2-(azetidin-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 64611833

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 2958595) is 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is AJXHAEFFOOFGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c25-21(15-22-12-16-9-17(13-22)11-18(10-16)14-22)23-19-5-1-2-6-20(19)24-7-3-4-8-24/h1-2,5-6,16-18H,3-4,7-15H2,(H,23,25).
What are the key properties of 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 338.50 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 2958595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).