N-(2-azidoethyl)-2,6-dimethylbenzamide

C11H14N4O — CID 103845737

IUPACN-(2-azidoethyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C11H14N4O/c1-8-4-3-5-9(2)10(8)11(16)13-6-7-14-15-12/h3-5H,6-7H2,1-2H3,(H,13,16)
InChIKeyCTGKCRLOJTZHHS-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.34
Rot. Bonds4

About N-(2-azidoethyl)-2,6-dimethylbenzamide

N-(2-azidoethyl)-2,6-dimethylbenzamide (PubChem CID 103845737) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(2-azidoethyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-2,6-dimethylbenzamide
PubChem CID103845737
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(2-azidoethyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C11H14N4O/c1-8-4-3-5-9(2)10(8)11(16)13-6-7-14-15-12/h3-5H,6-7H2,1-2H3,(H,13,16)
InChIKeyCTGKCRLOJTZHHS-UHFFFAOYSA-N
XLogP2.34
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.34
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)-3-methylpyridine-2-carboxamide
CID 55210380
N-(2-azidoethyl)-5-bromo-2-methylbenzamide
CID 65311792
N-(3-azidopropyl)-2,6-dichlorobenzamide
CID 61343646
N-(4-azidobutyl)-2,6-difluoro-3-methylbenzamide
CID 106386362
N-(2-azidoethyl)-4-ethylbenzamide
CID 55136940
N-(6-chlorohexyl)-2,6-dimethylbenzamide
CID 114026632
N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61342881
N-(2-azidoethyl)-3-cyanobenzamide
CID 61343052
2,6-dimethyl-N-pent-4-ynylbenzamide
CID 103714373
N-(2-azidoethyl)-2-naphthalen-1-ylacetamide
CID 61342306
2,6-dimethyl-N-prop-2-ynylbenzamide
CID 103767922
N-(2-azidoethyl)-5-ethylfuran-2-carboxamide
CID 79084209

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-2,6-dimethylbenzamide?
The IUPAC name of N-(2-azidoethyl)-2,6-dimethylbenzamide (CID 103845737) is N-(2-azidoethyl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(2-azidoethyl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(2-azidoethyl)-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NCCN=[N+]=[N-].
What is the InChIKey of N-(2-azidoethyl)-2,6-dimethylbenzamide?
The InChIKey is CTGKCRLOJTZHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-4-3-5-9(2)10(8)11(16)13-6-7-14-15-12/h3-5H,6-7H2,1-2H3,(H,13,16).
What are the key properties of N-(2-azidoethyl)-2,6-dimethylbenzamide?
N-(2-azidoethyl)-2,6-dimethylbenzamide has a molecular weight of 218.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 103845737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).