2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

C30H43N3O — CID 11408589

IUPAC2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)[C@H]1CCN(CCCCCCCCNC2CCC2)C1
InChIInChI=1S/C30H43N3O/c31-29(34)30(25-14-7-5-8-15-25,26-16-9-6-10-17-26)27-20-23-33(24-27)22-12-4-2-1-3-11-21-32-28-18-13-19-28/h5-10,14-17,27-28,32H,1-4,11-13,18-24H2,(H2,31,34)/t27-/m0/s1
InChIKeyGIKPJPDQOSGJIX-MHZLTWQESA-N
MW461.69 g/mol
LogP5.26
Rot. Bonds14

About 2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 11408589) has the molecular formula C30H43N3O and a molecular weight of 461.69 g/mol. Its IUPAC name is 2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
PubChem CID11408589
Molecular FormulaC30H43N3O
Molecular Weight461.69 g/mol
Exact Mass461.34
IUPAC Name2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)[C@H]1CCN(CCCCCCCCNC2CCC2)C1
InChIInChI=1S/C30H43N3O/c31-29(34)30(25-14-7-5-8-15-25,26-16-9-6-10-17-26)27-20-23-33(24-27)22-12-4-2-1-3-11-21-32-28-18-13-19-28/h5-10,14-17,27-28,32H,1-4,11-13,18-24H2,(H2,31,34)/t27-/m0/s1
InChIKeyGIKPJPDQOSGJIX-MHZLTWQESA-N
XLogP5.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.69
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3S)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 16755438
2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11600092
2-[(3R)-1-[9-(1-hydroxypropan-2-ylamino)nonyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11260152
2-[(3R)-1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11306139
2-[(3S)-1-(7-oxoheptyl)pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride
CID 87396933
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 66858006
2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 69036123
2-[(3S)-1-[4-[4-(2-hydroxyethyl)phenyl]butyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 66859566
2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide
CID 70303123
2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide
CID 11454189
2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide
CID 11306465
2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 18654449

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The IUPAC name of 2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (CID 11408589) is 2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is NC(=O)C(c1ccccc1)(c1ccccc1)[C@H]1CCN(CCCCCCCCNC2CCC2)C1.
What is the InChIKey of 2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The InChIKey is GIKPJPDQOSGJIX-MHZLTWQESA-N. The full InChI is InChI=1S/C30H43N3O/c31-29(34)30(25-14-7-5-8-15-25,26-16-9-6-10-17-26)27-20-23-33(24-27)22-12-4-2-1-3-11-21-32-28-18-13-19-28/h5-10,14-17,27-28,32H,1-4,11-13,18-24H2,(H2,31,34)/t27-/m0/s1.
What are the key properties of 2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 461.69 g/mol, XLogP of 5.26, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 11408589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).