N-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide

C19H24N2O2 — CID 172583752

IUPACN-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide
SMILESN#Cc1cccc([C@]2(CNC(=O)CC3CCCCC3)CCO2)c1
InChIInChI=1S/C19H24N2O2/c20-13-16-7-4-8-17(11-16)19(9-10-23-19)14-21-18(22)12-15-5-2-1-3-6-15/h4,7-8,11,15H,1-3,5-6,9-10,12,14H2,(H,21,22)/t19-/m1/s1
InChIKeyVONNMBPQPPVLEN-LJQANCHMSA-N
MW312.41 g/mol
LogP3.26
Rot. Bonds5

About N-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide

N-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide (PubChem CID 172583752) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide
PubChem CID172583752
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide
SMILESN#Cc1cccc([C@]2(CNC(=O)CC3CCCCC3)CCO2)c1
InChIInChI=1S/C19H24N2O2/c20-13-16-7-4-8-17(11-16)19(9-10-23-19)14-21-18(22)12-15-5-2-1-3-6-15/h4,7-8,11,15H,1-3,5-6,9-10,12,14H2,(H,21,22)/t19-/m1/s1
InChIKeyVONNMBPQPPVLEN-LJQANCHMSA-N
XLogP3.26
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide?
The IUPAC name of N-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide (CID 172583752) is N-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide is N#Cc1cccc([C@]2(CNC(=O)CC3CCCCC3)CCO2)c1.
What is the InChIKey of N-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide?
The InChIKey is VONNMBPQPPVLEN-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O2/c20-13-16-7-4-8-17(11-16)19(9-10-23-19)14-21-18(22)12-15-5-2-1-3-6-15/h4,7-8,11,15H,1-3,5-6,9-10,12,14H2,(H,21,22)/t19-/m1/s1.
What are the key properties of N-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide?
N-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide has a molecular weight of 312.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide is sourced from PubChem (CID 172583752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).