2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide

C20H22N2O2 — CID 46525689

IUPAC2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc(C(C)NC(=O)C(C)Oc2ccccc2C#N)cc1
InChIInChI=1S/C20H22N2O2/c1-4-16-9-11-17(12-10-16)14(2)22-20(23)15(3)24-19-8-6-5-7-18(19)13-21/h5-12,14-15H,4H2,1-3H3,(H,22,23)
InChIKeyKJOUUNYWGSOVQC-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.77
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide

2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide (PubChem CID 46525689) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
PubChem CID46525689
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc(C(C)NC(=O)C(C)Oc2ccccc2C#N)cc1
InChIInChI=1S/C20H22N2O2/c1-4-16-9-11-17(12-10-16)14(2)22-20(23)15(3)24-19-8-6-5-7-18(19)13-21/h5-12,14-15H,4H2,1-3H3,(H,22,23)
InChIKeyKJOUUNYWGSOVQC-UHFFFAOYSA-N
XLogP3.77
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 92682028
2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid
CID 43469183
2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103716433
(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide
CID 30397880
(2S)-2-[2-(2-cyanophenoxy)propanoylamino]pentanoic acid
CID 107563790
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
3-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540584
(2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 7382543
ethyl N-[[(2S)-2-(2-cyanophenoxy)propanoyl]amino]carbamate
CID 37002364
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid
CID 120701997
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide (CID 46525689) is 2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide is CCc1ccc(C(C)NC(=O)C(C)Oc2ccccc2C#N)cc1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide?
The InChIKey is KJOUUNYWGSOVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-16-9-11-17(12-10-16)14(2)22-20(23)15(3)24-19-8-6-5-7-18(19)13-21/h5-12,14-15H,4H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide?
2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide is sourced from PubChem (CID 46525689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).