N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide

C12H13N3O4 — CID 112550843

IUPACN-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NOCC(N)=O
InChIInChI=1S/C12H13N3O4/c1-8(12(17)15-18-7-11(14)16)19-10-5-3-2-4-9(10)6-13/h2-5,8H,7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyXYSHEYCSJPCBTM-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.14
Rot. Bonds6

About N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide

N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide (PubChem CID 112550843) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide
PubChem CID112550843
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NOCC(N)=O
InChIInChI=1S/C12H13N3O4/c1-8(12(17)15-18-7-11(14)16)19-10-5-3-2-4-9(10)6-13/h2-5,8H,7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyXYSHEYCSJPCBTM-UHFFFAOYSA-N
XLogP-0.14
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
ethyl N-[[(2S)-2-(2-cyanophenoxy)propanoyl]amino]carbamate
CID 37002364
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid
CID 43469183
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide
CID 115884445
2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide
CID 46597620
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
(2S)-2-[2-(2-cyanophenoxy)propanoylamino]pentanoic acid
CID 107563790

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide (CID 112550843) is N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide is CC(Oc1ccccc1C#N)C(=O)NOCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide?
The InChIKey is XYSHEYCSJPCBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-8(12(17)15-18-7-11(14)16)19-10-5-3-2-4-9(10)6-13/h2-5,8H,7H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide?
N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide has a molecular weight of 263.25 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide is sourced from PubChem (CID 112550843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).