2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

C26H37N3O — CID 11600092

IUPAC2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESCNCCCCCCCN1CC[C@H](C(C(N)=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H37N3O/c1-28-18-11-3-2-4-12-19-29-20-17-24(21-29)26(25(27)30,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,24,28H,2-4,11-12,17-21H2,1H3,(H2,27,30)/t24-/m0/s1
InChIKeyZVJNCGUBCXLMCW-DEOSSOPVSA-N
MW407.60 g/mol
LogP3.95
Rot. Bonds12

About 2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 11600092) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is 2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
PubChem CID11600092
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC Name2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESCNCCCCCCCN1CC[C@H](C(C(N)=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H37N3O/c1-28-18-11-3-2-4-12-19-29-20-17-24(21-29)26(25(27)30,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,24,28H,2-4,11-12,17-21H2,1H3,(H2,27,30)/t24-/m0/s1
InChIKeyZVJNCGUBCXLMCW-DEOSSOPVSA-N
XLogP3.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 53.95
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-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 69036123
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-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11408589
2-[(3S)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 16755438
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-[(3S)-1-[4-[4-(2-hydroxyethyl)phenyl]butyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 66859566
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
2-[(3S)-1-[3-[5-[3-(ethylamino)propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11271789
2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide
CID 143136786

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The IUPAC name of 2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (CID 11600092) is 2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is CNCCCCCCCN1CC[C@H](C(C(N)=O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The InChIKey is ZVJNCGUBCXLMCW-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H37N3O/c1-28-18-11-3-2-4-12-19-29-20-17-24(21-29)26(25(27)30,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,24,28H,2-4,11-12,17-21H2,1H3,(H2,27,30)/t24-/m0/s1.
What are the key properties of 2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 407.60 g/mol, XLogP of 3.95, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 11600092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).