N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide

C25H32N2O2 — CID 135323234

IUPACN-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(CCc3ccccc3)(C3CCCO3)C2)cc1
InChIInChI=1S/C25H32N2O2/c1-20(28)26-23-11-9-22(10-12-23)18-27-16-15-25(19-27,24-8-5-17-29-24)14-13-21-6-3-2-4-7-21/h2-4,6-7,9-12,24H,5,8,13-19H2,1H3,(H,26,28)
InChIKeyRKCLROACLKCYOI-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.65
Rot. Bonds7

About N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide

N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide (PubChem CID 135323234) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
PubChem CID135323234
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(CCc3ccccc3)(C3CCCO3)C2)cc1
InChIInChI=1S/C25H32N2O2/c1-20(28)26-23-11-9-22(10-12-23)18-27-16-15-25(19-27,24-8-5-17-29-24)14-13-21-6-3-2-4-7-21/h2-4,6-7,9-12,24H,5,8,13-19H2,1H3,(H,26,28)
InChIKeyRKCLROACLKCYOI-UHFFFAOYSA-N
XLogP4.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[4-[(2S)-oxetan-2-yl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135329983
N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 167358492
4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid
CID 135330064
N-[4-[[(3S)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 135322598
N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135322817
N-[4-[[4-(6-fluoro-2-pyridinyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135323099
2-methyl-5-[[(3R)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-3-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 142429956
N-[4-[[4-[(3S)-2-oxo-1-(2-phenylethyl)azepan-3-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95832143
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837
1-methyl-5-[2-[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyrazole
CID 162430455
2-[[(4aS,8aS)-6-benzyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97387454
N-[4-[2-(1-benzylpiperidin-4-yl)acetyl]phenyl]acetamide
CID 19968938

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide (CID 135323234) is N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC(CCc3ccccc3)(C3CCCO3)C2)cc1.
What is the InChIKey of N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is RKCLROACLKCYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-20(28)26-23-11-9-22(10-12-23)18-27-16-15-25(19-27,24-8-5-17-29-24)14-13-21-6-3-2-4-7-21/h2-4,6-7,9-12,24H,5,8,13-19H2,1H3,(H,26,28).
What are the key properties of N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 392.54 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 135323234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).