N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide

C13H15N3O3 — CID 103819854

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(CC(=O)NCCOCC(N)=O)cc1
InChIInChI=1S/C13H15N3O3/c14-8-11-3-1-10(2-4-11)7-13(18)16-5-6-19-9-12(15)17/h1-4H,5-7,9H2,(H2,15,17)(H,16,18)
InChIKeyAOVZIEKQCAUARS-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.28
Rot. Bonds7

About N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide (PubChem CID 103819854) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide
PubChem CID103819854
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(CC(=O)NCCOCC(N)=O)cc1
InChIInChI=1S/C13H15N3O3/c14-8-11-3-1-10(2-4-11)7-13(18)16-5-6-19-9-12(15)17/h1-4H,5-7,9H2,(H2,15,17)(H,16,18)
InChIKeyAOVZIEKQCAUARS-UHFFFAOYSA-N
XLogP-0.28
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 106240241
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 103725457
2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide
CID 55209905
2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 167492377
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid
CID 114162732
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide
CID 171473702
2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
CID 62403309
2-(4-cyanophenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 60731032
2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 62404558
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide (CID 103819854) is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide is N#Cc1ccc(CC(=O)NCCOCC(N)=O)cc1.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide?
The InChIKey is AOVZIEKQCAUARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-8-11-3-1-10(2-4-11)7-13(18)16-5-6-19-9-12(15)17/h1-4H,5-7,9H2,(H2,15,17)(H,16,18).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide has a molecular weight of 261.28 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide is sourced from PubChem (CID 103819854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).