N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide

C26H29N2O+ — CID 8909675

IUPACN-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CC[NH+](Cc2ccccc2)C1
InChIInChI=1S/C26H28N2O/c29-26(27-24-16-17-28(20-24)19-21-10-4-1-5-11-21)18-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-25H,16-20H2,(H,27,29)/p+1/t24-/m0/s1
InChIKeyXFQNTEABJGRFEL-DEOSSOPVSA-O
MW385.53 g/mol
LogP3.18
Rot. Bonds7

About N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide

N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide (PubChem CID 8909675) has the molecular formula C26H29N2O+ and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide
PubChem CID8909675
Molecular FormulaC26H29N2O+
Molecular Weight385.53 g/mol
Exact Mass385.23
IUPAC NameN-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CC[NH+](Cc2ccccc2)C1
InChIInChI=1S/C26H28N2O/c29-26(27-24-16-17-28(20-24)19-21-10-4-1-5-11-21)18-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-25H,16-20H2,(H,27,29)/p+1/t24-/m0/s1
InChIKeyXFQNTEABJGRFEL-DEOSSOPVSA-O
XLogP3.18
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 8771167
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]acetamide
CID 8597268
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8754252
ethyl 1-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8772973
N-(1-benzylpiperidin-1-ium-4-yl)-2-phenylsulfanylacetamide
CID 7354720
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594426
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]propanamide
CID 11934736
N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8595650
N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide
CID 9208935
(3S)-3-acetamido-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-phenylpropanamide
CID 8590083
N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9451484
N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 9488626

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide (CID 8909675) is N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CC[NH+](Cc2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide?
The InChIKey is XFQNTEABJGRFEL-DEOSSOPVSA-O. The full InChI is InChI=1S/C26H28N2O/c29-26(27-24-16-17-28(20-24)19-21-10-4-1-5-11-21)18-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-25H,16-20H2,(H,27,29)/p+1/t24-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide?
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide has a molecular weight of 385.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 8909675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).