N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide

C29H36N2O — CID 153310944

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(C1)CC(c1ccccc1)(C3)C2)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C29H36N2O/c32-27(30-26-11-12-31(20-26)19-22-7-3-1-4-8-22)18-28-14-23-13-24(15-28)17-29(16-23,21-28)25-9-5-2-6-10-25/h1-10,23-24,26H,11-21H2,(H,30,32)/t23?,24?,26-,28?,29?/m1/s1
InChIKeyKDINRSBJZGIHCJ-GLBRGBGWSA-N
MW428.62 g/mol
LogP5.31
Rot. Bonds6

About N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide (PubChem CID 153310944) has the molecular formula C29H36N2O and a molecular weight of 428.62 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide
PubChem CID153310944
Molecular FormulaC29H36N2O
Molecular Weight428.62 g/mol
Exact Mass428.28
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(C1)CC(c1ccccc1)(C3)C2)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C29H36N2O/c32-27(30-26-11-12-31(20-26)19-22-7-3-1-4-8-22)18-28-14-23-13-24(15-28)17-29(16-23,21-28)25-9-5-2-6-10-25/h1-10,23-24,26H,11-21H2,(H,30,32)/t23?,24?,26-,28?,29?/m1/s1
InChIKeyKDINRSBJZGIHCJ-GLBRGBGWSA-N
XLogP5.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide
CID 163950956
N-benzyl-2-(3-phenyl-1-adamantyl)acetamide
CID 2953915
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-[(3R)-1-[[3-[2-[(1-methylazetidin-3-yl)amino]-2-oxoethyl]-5-phenyl-1-adamantyl]methyl]piperidin-3-yl]-3-phenyladamantane-1-carboxamide
CID 166985209
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
CID 27835435
2-(azetidin-3-yl)-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 64618361
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
N-[(2R)-1-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 39910717

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide (CID 153310944) is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide is O=C(CC12CC3CC(C1)CC(c1ccccc1)(C3)C2)N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide?
The InChIKey is KDINRSBJZGIHCJ-GLBRGBGWSA-N. The full InChI is InChI=1S/C29H36N2O/c32-27(30-26-11-12-31(20-26)19-22-7-3-1-4-8-22)18-28-14-23-13-24(15-28)17-29(16-23,21-28)25-9-5-2-6-10-25/h1-10,23-24,26H,11-21H2,(H,30,32)/t23?,24?,26-,28?,29?/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide has a molecular weight of 428.62 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide is sourced from PubChem (CID 153310944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).