2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide

C20H20N2O3 — CID 124606330

IUPAC2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C20H20N2O3/c21-13-16-9-4-5-10-17(16)25-14-19(23)22-20(18-11-6-12-24-18)15-7-2-1-3-8-15/h1-5,7-10,18,20H,6,11-12,14H2,(H,22,23)/t18-,20+/m1/s1
InChIKeyOCLRFOZHKCPCOS-QUCCMNQESA-N
MW336.39 g/mol
LogP2.97
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide

2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide (PubChem CID 124606330) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide
PubChem CID124606330
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C20H20N2O3/c21-13-16-9-4-5-10-17(16)25-14-19(23)22-20(18-11-6-12-24-18)15-7-2-1-3-8-15/h1-5,7-10,18,20H,6,11-12,14H2,(H,22,23)/t18-,20+/m1/s1
InChIKeyOCLRFOZHKCPCOS-QUCCMNQESA-N
XLogP2.97
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide
CID 51187215
2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124625518
2-(methylamino)-N-[oxolan-2-yl(phenyl)methyl]acetamide
CID 119757394
4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide
CID 129397487
2-(2-cyanophenoxy)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148844
2-(2-cyanophenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 51202359
4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 120561583
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115636054
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(2-cyanophenoxy)acetate
CID 2372728
(2S,3R)-2-[[2-(2-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104965105
2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533761

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide (CID 124606330) is 2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide is N#Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide?
The InChIKey is OCLRFOZHKCPCOS-QUCCMNQESA-N. The full InChI is InChI=1S/C20H20N2O3/c21-13-16-9-4-5-10-17(16)25-14-19(23)22-20(18-11-6-12-24-18)15-7-2-1-3-8-15/h1-5,7-10,18,20H,6,11-12,14H2,(H,22,23)/t18-,20+/m1/s1.
What are the key properties of 2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide?
2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide is sourced from PubChem (CID 124606330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).