2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide

C23H22N2O4 — CID 55660949

IUPAC2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCc1cccc(COCc2ccco2)c1
InChIInChI=1S/C23H22N2O4/c1-17(29-21-9-7-18(13-24)8-10-21)23(26)25-14-19-4-2-5-20(12-19)15-27-16-22-6-3-11-28-22/h2-12,17H,14-16H2,1H3,(H,25,26)
InChIKeyKCYVENHTYIEDMZ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.95
Rot. Bonds9

About 2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide

2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide (PubChem CID 55660949) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide
PubChem CID55660949
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCc1cccc(COCc2ccco2)c1
InChIInChI=1S/C23H22N2O4/c1-17(29-21-9-7-18(13-24)8-10-21)23(26)25-14-19-4-2-5-20(12-19)15-27-16-22-6-3-11-28-22/h2-12,17H,14-16H2,1H3,(H,25,26)
InChIKeyKCYVENHTYIEDMZ-UHFFFAOYSA-N
XLogP3.95
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide
CID 46470544
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
N-[3-[[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 25483945
2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
CID 56791885
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 7858145
(2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide
CID 34737309
2-(4-ethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 55660922
N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 86994457
2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 78810656
2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 55707900
2-(2,6-dimethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 46470415
5-[[2-(4-cyanophenoxy)propanoylamino]methyl]-2-methoxybenzoic acid
CID 45384516

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide (CID 55660949) is 2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NCc1cccc(COCc2ccco2)c1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide?
The InChIKey is KCYVENHTYIEDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-17(29-21-9-7-18(13-24)8-10-21)23(26)25-14-19-4-2-5-20(12-19)15-27-16-22-6-3-11-28-22/h2-12,17H,14-16H2,1H3,(H,25,26).
What are the key properties of 2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide?
2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide has a molecular weight of 390.44 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55660949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).