2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide

C26H28N2O2 — CID 56556328

IUPAC2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)COC(c3ccccc3)c3ccccc3)cc2)C1
InChIInChI=1S/C26H28N2O2/c1-20-16-17-28(18-20)24-14-12-23(13-15-24)27-25(29)19-30-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,26H,16-19H2,1H3,(H,27,29)
InChIKeyYBZSXFFEKRYFPF-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.28
Rot. Bonds7

About 2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide

2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide (PubChem CID 56556328) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
PubChem CID56556328
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)COC(c3ccccc3)c3ccccc3)cc2)C1
InChIInChI=1S/C26H28N2O2/c1-20-16-17-28(18-20)24-14-12-23(13-15-24)27-25(29)19-30-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,26H,16-19H2,1H3,(H,27,29)
InChIKeyYBZSXFFEKRYFPF-UHFFFAOYSA-N
XLogP5.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(3-methylpyrrolidin-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 56559267
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747
3-(2-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556359
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 56576000
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 56556326
3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556229
2-(4-ethoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56556168
2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559405
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-[(3S)-3-methylpyrrolidin-1-yl]phenyl]urea
CID 97219987
2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56559143
3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559008

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide (CID 56556328) is 2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide is CC1CCN(c2ccc(NC(=O)COC(c3ccccc3)c3ccccc3)cc2)C1.
What is the InChIKey of 2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is YBZSXFFEKRYFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-20-16-17-28(18-20)24-14-12-23(13-15-24)27-25(29)19-30-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,26H,16-19H2,1H3,(H,27,29).
What are the key properties of 2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide?
2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 400.52 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 56556328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).