N-(2-azidoethyl)-5-ethylfuran-2-carboxamide

C9H12N4O2 — CID 79084209

IUPACN-(2-azidoethyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCCN=[N+]=[N-])o1
InChIInChI=1S/C9H12N4O2/c1-2-7-3-4-8(15-7)9(14)11-5-6-12-13-10/h3-4H,2,5-6H2,1H3,(H,11,14)
InChIKeyRWOTYPJWKYMNPI-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.88
Rot. Bonds5

About N-(2-azidoethyl)-5-ethylfuran-2-carboxamide

N-(2-azidoethyl)-5-ethylfuran-2-carboxamide (PubChem CID 79084209) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-(2-azidoethyl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-5-ethylfuran-2-carboxamide
PubChem CID79084209
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC NameN-(2-azidoethyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCCN=[N+]=[N-])o1
InChIInChI=1S/C9H12N4O2/c1-2-7-3-4-8(15-7)9(14)11-5-6-12-13-10/h3-4H,2,5-6H2,1H3,(H,11,14)
InChIKeyRWOTYPJWKYMNPI-UHFFFAOYSA-N
XLogP1.88
TPSA91.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-azidoethyl)-4-ethylbenzamide
CID 55136940
5-ethyl-N-(3-iodopropyl)furan-2-carboxamide
CID 114504288
N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
CID 112726773
N-(5-aminopentyl)-5-ethylfuran-2-carboxamide
CID 79094477
5-ethyl-N-(4-hydroxypentyl)furan-2-carboxamide
CID 107299752
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115636695
N-(2-bromoprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115594455
5-ethyl-N-(3-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65034203
5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide
CID 134162879
N-(2-azidoethyl)-2,6-dimethylbenzamide
CID 103845737
5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide
CID 107487184

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(2-azidoethyl)-5-ethylfuran-2-carboxamide (CID 79084209) is N-(2-azidoethyl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(2-azidoethyl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(2-azidoethyl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NCCN=[N+]=[N-])o1.
What is the InChIKey of N-(2-azidoethyl)-5-ethylfuran-2-carboxamide?
The InChIKey is RWOTYPJWKYMNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-2-7-3-4-8(15-7)9(14)11-5-6-12-13-10/h3-4H,2,5-6H2,1H3,(H,11,14).
What are the key properties of N-(2-azidoethyl)-5-ethylfuran-2-carboxamide?
N-(2-azidoethyl)-5-ethylfuran-2-carboxamide has a molecular weight of 208.22 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 79084209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).