N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide

C28H32N2O — CID 167190709

IUPACN-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide
SMILESO=C(NCCCC1CCCN1Cc1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O/c31-28(27(24-14-6-2-7-15-24)25-16-8-3-9-17-25)29-20-10-18-26-19-11-21-30(26)22-23-12-4-1-5-13-23/h1-9,12-17,26-27H,10-11,18-22H2,(H,29,31)
InChIKeySMUGRTSYTGOBKG-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.38
Rot. Bonds9

About N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide

N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide (PubChem CID 167190709) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide
PubChem CID167190709
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC NameN-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide
SMILESO=C(NCCCC1CCCN1Cc1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O/c31-28(27(24-14-6-2-7-15-24)25-16-8-3-9-17-25)29-20-10-18-26-19-11-21-30(26)22-23-12-4-1-5-13-23/h1-9,12-17,26-27H,10-11,18-22H2,(H,29,31)
InChIKeySMUGRTSYTGOBKG-UHFFFAOYSA-N
XLogP5.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
(2S)-2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide;dihydrochloride
CID 119888694
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
N-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide
CID 71048572
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
1-benzyl-2-(3-iodopropyl)piperidine
CID 71648959
3-(1-benzylpiperidin-2-yl)propane-1-thiol
CID 71650266
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 102569978

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide?
The IUPAC name of N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide (CID 167190709) is N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide is O=C(NCCCC1CCCN1Cc1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide?
The InChIKey is SMUGRTSYTGOBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c31-28(27(24-14-6-2-7-15-24)25-16-8-3-9-17-25)29-20-10-18-26-19-11-21-30(26)22-23-12-4-1-5-13-23/h1-9,12-17,26-27H,10-11,18-22H2,(H,29,31).
What are the key properties of N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide?
N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide has a molecular weight of 412.58 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide is sourced from PubChem (CID 167190709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).