2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide

C21H24N2O4 — CID 8500487

IUPAC2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)COc2ccccc2C#N)cc1OCC
InChIInChI=1S/C21H24N2O4/c1-4-25-19-11-10-16(12-20(19)26-5-2)15(3)23-21(24)14-27-18-9-7-6-8-17(18)13-22/h6-12,15H,4-5,14H2,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeyYFZSAXXIGHOWAQ-HNNXBMFYSA-N
MW368.43 g/mol
LogP3.61
Rot. Bonds9

About 2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide

2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide (PubChem CID 8500487) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide
PubChem CID8500487
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)COc2ccccc2C#N)cc1OCC
InChIInChI=1S/C21H24N2O4/c1-4-25-19-11-10-16(12-20(19)26-5-2)15(3)23-21(24)14-27-18-9-7-6-8-17(18)13-22/h6-12,15H,4-5,14H2,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeyYFZSAXXIGHOWAQ-HNNXBMFYSA-N
XLogP3.61
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 8795097
2-(2-ethoxyphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 46828544
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371
2-(2-cyanophenoxy)-N-(1-ethoxypropan-2-yl)acetamide
CID 47903365
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 7936479

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide (CID 8500487) is 2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide is CCOc1ccc([C@H](C)NC(=O)COc2ccccc2C#N)cc1OCC.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide?
The InChIKey is YFZSAXXIGHOWAQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-25-19-11-10-16(12-20(19)26-5-2)15(3)23-21(24)14-27-18-9-7-6-8-17(18)13-22/h6-12,15H,4-5,14H2,1-3H3,(H,23,24)/t15-/m0/s1.
What are the key properties of 2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide?
2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide has a molecular weight of 368.43 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 8500487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).