N-(2-azidoethyl)-4-ethylbenzamide

C11H14N4O — CID 55136940

IUPACN-(2-azidoethyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCCN=[N+]=[N-])cc1
InChIInChI=1S/C11H14N4O/c1-2-9-3-5-10(6-4-9)11(16)13-7-8-14-15-12/h3-6H,2,7-8H2,1H3,(H,13,16)
InChIKeyRESFNWXRQACZIL-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.29
Rot. Bonds5

About N-(2-azidoethyl)-4-ethylbenzamide

N-(2-azidoethyl)-4-ethylbenzamide (PubChem CID 55136940) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(2-azidoethyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-4-ethylbenzamide
PubChem CID55136940
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(2-azidoethyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCCN=[N+]=[N-])cc1
InChIInChI=1S/C11H14N4O/c1-2-9-3-5-10(6-4-9)11(16)13-7-8-14-15-12/h3-6H,2,7-8H2,1H3,(H,13,16)
InChIKeyRESFNWXRQACZIL-UHFFFAOYSA-N
XLogP2.29
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-iodobenzamide
CID 61342879
ethane;4-ethyl-N-propylbenzamide
CID 142831348
N-(2-azidoethyl)-5-ethylfuran-2-carboxamide
CID 79084209
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870
N-(3-amino-3-sulfanylidenepropyl)-4-ethylbenzamide
CID 62668181
N-(4-chlorobutyl)-4-ethylbenzamide
CID 106845476
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
2-[(4-ethylbenzoyl)amino]ethanesulfonic acid
CID 90066946
4-(azidomethyl)-N-[(3S)-3-(methylamino)butyl]benzamide
CID 174020315
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide
CID 161343746

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-4-ethylbenzamide?
The IUPAC name of N-(2-azidoethyl)-4-ethylbenzamide (CID 55136940) is N-(2-azidoethyl)-4-ethylbenzamide.
What is the SMILES notation for N-(2-azidoethyl)-4-ethylbenzamide?
The canonical SMILES for N-(2-azidoethyl)-4-ethylbenzamide is CCc1ccc(C(=O)NCCN=[N+]=[N-])cc1.
What is the InChIKey of N-(2-azidoethyl)-4-ethylbenzamide?
The InChIKey is RESFNWXRQACZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-9-3-5-10(6-4-9)11(16)13-7-8-14-15-12/h3-6H,2,7-8H2,1H3,(H,13,16).
What are the key properties of N-(2-azidoethyl)-4-ethylbenzamide?
N-(2-azidoethyl)-4-ethylbenzamide has a molecular weight of 218.26 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-4-ethylbenzamide is sourced from PubChem (CID 55136940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).