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

C31H39N3O2 — CID 163950956

IUPACN-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(C1)CC(c1ccccc1)(C3)C2)NCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C31H39N3O2/c35-28(32-19-29(36)33-27-11-12-34(21-27)20-23-7-3-1-4-8-23)18-30-14-24-13-25(15-30)17-31(16-24,22-30)26-9-5-2-6-10-26/h1-10,24-25,27H,11-22H2,(H,32,35)(H,33,36)/t24?,25?,27-,30?,31?/m1/s1
InChIKeyRZGNAPNWECUIDX-IWIUBBACSA-N
MW485.67 g/mol
LogP4.42
Rot. Bonds8

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

N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide (PubChem CID 163950956) has the molecular formula C31H39N3O2 and a molecular weight of 485.67 g/mol. Its IUPAC name is N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide
PubChem CID163950956
Molecular FormulaC31H39N3O2
Molecular Weight485.67 g/mol
Exact Mass485.30
IUPAC NameN-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(C1)CC(c1ccccc1)(C3)C2)NCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C31H39N3O2/c35-28(32-19-29(36)33-27-11-12-34(21-27)20-23-7-3-1-4-8-23)18-30-14-24-13-25(15-30)17-31(16-24,22-30)26-9-5-2-6-10-26/h1-10,24-25,27H,11-22H2,(H,32,35)(H,33,36)/t24?,25?,27-,30?,31?/m1/s1
InChIKeyRZGNAPNWECUIDX-IWIUBBACSA-N
XLogP4.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.67
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide
CID 153310944
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
2-(azetidin-3-yl)-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 64618361
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 46518836
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
N-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17418131
N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41045423
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide?
The IUPAC name of N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide (CID 163950956) is N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide.
What is the SMILES notation for N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide?
The canonical SMILES for N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide is O=C(CC12CC3CC(C1)CC(c1ccccc1)(C3)C2)NCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide?
The InChIKey is RZGNAPNWECUIDX-IWIUBBACSA-N. The full InChI is InChI=1S/C31H39N3O2/c35-28(32-19-29(36)33-27-11-12-34(21-27)20-23-7-3-1-4-8-23)18-30-14-24-13-25(15-30)17-31(16-24,22-30)26-9-5-2-6-10-26/h1-10,24-25,27H,11-22H2,(H,32,35)(H,33,36)/t24?,25?,27-,30?,31?/m1/s1.
What are the key properties of N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide?
N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide has a molecular weight of 485.67 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide is sourced from PubChem (CID 163950956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).