2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide

C23H32N2O — CID 90619858

IUPAC2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC1CCCN1c1ccccc1
InChIInChI=1S/C23H32N2O/c26-22(15-23-12-17-9-18(13-23)11-19(10-17)14-23)24-16-21-7-4-8-25(21)20-5-2-1-3-6-20/h1-3,5-6,17-19,21H,4,7-16H2,(H,24,26)
InChIKeyXLMVVACQLNOBKV-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.38
Rot. Bonds5

About 2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide

2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 90619858) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
PubChem CID90619858
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC1CCCN1c1ccccc1
InChIInChI=1S/C23H32N2O/c26-22(15-23-12-17-9-18(13-23)11-19(10-17)14-23)24-16-21-7-4-8-25(21)20-5-2-1-3-6-20/h1-3,5-6,17-19,21H,4,7-16H2,(H,24,26)
InChIKeyXLMVVACQLNOBKV-UHFFFAOYSA-N
XLogP4.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
2-ethoxy-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99903447
2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883040
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438
2-naphthalen-1-yl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619918
3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide
CID 72719282
3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide
CID 99883089
2-(2-methoxyphenoxy)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883057
N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 90619889
2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 73168268
1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea
CID 99903541
1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea
CID 72719298

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide (CID 90619858) is 2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCC1CCCN1c1ccccc1.
What is the InChIKey of 2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is XLMVVACQLNOBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c26-22(15-23-12-17-9-18(13-23)11-19(10-17)14-23)24-16-21-7-4-8-25(21)20-5-2-1-3-6-20/h1-3,5-6,17-19,21H,4,7-16H2,(H,24,26).
What are the key properties of 2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide?
2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 352.52 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 90619858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).