N-(2-amino-2-oxoethoxy)-3-cyanobenzamide

C10H9N3O3 — CID 112550783

IUPACN-(2-amino-2-oxoethoxy)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NOCC(N)=O)c1
InChIInChI=1S/C10H9N3O3/c11-5-7-2-1-3-8(4-7)10(15)13-16-6-9(12)14/h1-4H,6H2,(H2,12,14)(H,13,15)
InChIKeyGJDBMHBJTIAAKA-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.30
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)-3-cyanobenzamide

N-(2-amino-2-oxoethoxy)-3-cyanobenzamide (PubChem CID 112550783) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-3-cyanobenzamide
PubChem CID112550783
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC NameN-(2-amino-2-oxoethoxy)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NOCC(N)=O)c1
InChIInChI=1S/C10H9N3O3/c11-5-7-2-1-3-8(4-7)10(15)13-16-6-9(12)14/h1-4H,6H2,(H2,12,14)(H,13,15)
InChIKeyGJDBMHBJTIAAKA-UHFFFAOYSA-N
XLogP-0.30
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide
CID 38380319
N-(4-amino-4-oxobutyl)-3-cyanobenzamide
CID 47189124
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide
CID 112551104
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-cyanobenzenecarbothioamide
CID 23279245
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-cyanobenzamide
CID 8009499
ethyl 2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoacetate
CID 129246974
N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide
CID 58653948
3-cyano-N-prop-2-enylbenzamide
CID 24701030
methyl 4-(3-cyanophenyl)-2,4-dioxobutanoate
CID 63990922

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-3-cyanobenzamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-3-cyanobenzamide (CID 112550783) is N-(2-amino-2-oxoethoxy)-3-cyanobenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-3-cyanobenzamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-3-cyanobenzamide is N#Cc1cccc(C(=O)NOCC(N)=O)c1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-3-cyanobenzamide?
The InChIKey is GJDBMHBJTIAAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-5-7-2-1-3-8(4-7)10(15)13-16-6-9(12)14/h1-4H,6H2,(H2,12,14)(H,13,15).
What are the key properties of N-(2-amino-2-oxoethoxy)-3-cyanobenzamide?
N-(2-amino-2-oxoethoxy)-3-cyanobenzamide has a molecular weight of 219.20 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-3-cyanobenzamide is sourced from PubChem (CID 112550783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).