N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide

C18H17N3O4 — CID 24649964

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(OCC(N)=O)c1
InChIInChI=1S/C18H17N3O4/c1-12(25-15-7-5-13(10-19)6-8-15)18(23)21-14-3-2-4-16(9-14)24-11-17(20)22/h2-9,12H,11H2,1H3,(H2,20,22)(H,21,23)
InChIKeyAYDZEVLZOXLJMW-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.83
Rot. Bonds7

About N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide (PubChem CID 24649964) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
PubChem CID24649964
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(OCC(N)=O)c1
InChIInChI=1S/C18H17N3O4/c1-12(25-15-7-5-13(10-19)6-8-15)18(23)21-14-3-2-4-16(9-14)24-11-17(20)22/h2-9,12H,11H2,1H3,(H2,20,22)(H,21,23)
InChIKeyAYDZEVLZOXLJMW-UHFFFAOYSA-N
XLogP1.83
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 110877125
2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
CID 78675814
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dichlorophenoxy)propanamide
CID 43078117
(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 9072191
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7977779
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7977782

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide (CID 24649964) is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide is CC(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(OCC(N)=O)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide?
The InChIKey is AYDZEVLZOXLJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-12(25-15-7-5-13(10-19)6-8-15)18(23)21-14-3-2-4-16(9-14)24-11-17(20)22/h2-9,12H,11H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide has a molecular weight of 339.35 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide is sourced from PubChem (CID 24649964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).