N-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide

C23H33N3O — CID 120760033

IUPACN-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide
SMILESNC[C@@H]1CN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1c1ccccc1
InChIInChI=1S/C23H33N3O/c24-12-20-13-26(14-21(20)19-4-2-1-3-5-19)15-22(27)25-23-9-16-6-17(10-23)8-18(7-16)11-23/h1-5,16-18,20-21H,6-15,24H2,(H,25,27)/t16?,17?,18?,20-,21+,23?/m1/s1
InChIKeyASYVOYIGWQZCPW-CLFQVDMQSA-N
MW367.54 g/mol
LogP2.75
Rot. Bonds5

About N-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide

N-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide (PubChem CID 120760033) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide
PubChem CID120760033
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC NameN-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide
SMILESNC[C@@H]1CN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1c1ccccc1
InChIInChI=1S/C23H33N3O/c24-12-20-13-26(14-21(20)19-4-2-1-3-5-19)15-22(27)25-23-9-16-6-17(10-23)8-18(7-16)11-23/h1-5,16-18,20-21H,6-15,24H2,(H,25,27)/t16?,17?,18?,20-,21+,23?/m1/s1
InChIKeyASYVOYIGWQZCPW-CLFQVDMQSA-N
XLogP2.75
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 120759684
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 120759230
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 120760035
N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9223452
N-(1-acetylpiperidin-4-yl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide
CID 120758617
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 120759119
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 120759578
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 120760123
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 120758613
2-[[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide;hydrochloride
CID 120759143
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-(2,6-difluorophenyl)ethyl]acetamide
CID 120760081
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 120759601

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide (CID 120760033) is N-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide is NC[C@@H]1CN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1c1ccccc1.
What is the InChIKey of N-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is ASYVOYIGWQZCPW-CLFQVDMQSA-N. The full InChI is InChI=1S/C23H33N3O/c24-12-20-13-26(14-21(20)19-4-2-1-3-5-19)15-22(27)25-23-9-16-6-17(10-23)8-18(7-16)11-23/h1-5,16-18,20-21H,6-15,24H2,(H,25,27)/t16?,17?,18?,20-,21+,23?/m1/s1.
What are the key properties of N-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide?
N-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 367.54 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 120760033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).