2-azido-N,N-bis(prop-2-enyl)benzamide

C13H14N4O — CID 11118224

IUPAC2-azido-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C13H14N4O/c1-3-9-17(10-4-2)13(18)11-7-5-6-8-12(11)15-16-14/h3-8H,1-2,9-10H2
InChIKeyXVUHHVACOAEGPA-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.44
Rot. Bonds6

About 2-azido-N,N-bis(prop-2-enyl)benzamide

2-azido-N,N-bis(prop-2-enyl)benzamide (PubChem CID 11118224) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-azido-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name2-azido-N,N-bis(prop-2-enyl)benzamide
PubChem CID11118224
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-azido-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C13H14N4O/c1-3-9-17(10-4-2)13(18)11-7-5-6-8-12(11)15-16-14/h3-8H,1-2,9-10H2
InChIKeyXVUHHVACOAEGPA-UHFFFAOYSA-N
XLogP3.44
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-azido-N-(2-azidobenzoyl)benzamide
CID 15319919
2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide
CID 112811410
2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide
CID 103800385
2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 103751770
N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide
CID 107033485
methyl (2S)-2-[(2-azidobenzoyl)-methylamino]-3-phenylpropanoate
CID 11035133
N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557956
2-ethoxyethyl 2-azidobenzoate
CID 13464506
(NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine
CID 12791909
2-(5-oxo-1,4-dihydroimidazol-2-yl)-N,N-bis(prop-2-enyl)benzamide
CID 70494720
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
N-(2-methoxyethyl)-N-prop-2-enyl-2-(propylamino)benzamide
CID 103339638

Frequently Asked Questions

What is the IUPAC name of 2-azido-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 2-azido-N,N-bis(prop-2-enyl)benzamide (CID 11118224) is 2-azido-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 2-azido-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 2-azido-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccccc1N=[N+]=[N-].
What is the InChIKey of 2-azido-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is XVUHHVACOAEGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-3-9-17(10-4-2)13(18)11-7-5-6-8-12(11)15-16-14/h3-8H,1-2,9-10H2.
What are the key properties of 2-azido-N,N-bis(prop-2-enyl)benzamide?
2-azido-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 242.28 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 11118224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).