2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium

C14H22N5O+ — CID 10250562

IUPAC2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium
SMILESCC[N+](C)(CC)CCNC(=O)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C14H21N5O/c1-4-19(3,5-2)11-10-16-14(20)12-6-8-13(9-7-12)17-18-15/h6-9H,4-5,10-11H2,1-3H3/p+1
InChIKeyCPUCHNFIESNQEA-UHFFFAOYSA-O
MW276.36 g/mol
LogP2.84
Rot. Bonds7

About 2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium

2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium (PubChem CID 10250562) has the molecular formula C14H22N5O+ and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium.

Molecular Properties

Compound Name2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium
PubChem CID10250562
Molecular FormulaC14H22N5O+
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium
SMILESCC[N+](C)(CC)CCNC(=O)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C14H21N5O/c1-4-19(3,5-2)11-10-16-14(20)12-6-8-13(9-7-12)17-18-15/h6-9H,4-5,10-11H2,1-3H3/p+1
InChIKeyCPUCHNFIESNQEA-UHFFFAOYSA-O
XLogP2.84
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

diethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide
CID 71505918
4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 86629801
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide
CID 14697250
4-azido-N-(2-piperidin-1-ylethyl)benzamide
CID 86629800
methyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride
CID 3037786
4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 162038272
4-azido-N-ethyl-N-methylbenzamide
CID 150089874
4-azidobenzoic acid;4-azido-N-(3-trimethoxysilylpropyl)benzamide;methanol;3-trimethoxysilylpropan-1-amine
CID 162180891
4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 122365448
N-(2-azidoethyl)-4-ethylbenzamide
CID 55136940
4-azido-N-(pyridin-2-ylmethyl)benzamide
CID 19609018
4-azido-3-methyl-N-propylbenzamide
CID 150918172

Frequently Asked Questions

What is the IUPAC name of 2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium?
The IUPAC name of 2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium (CID 10250562) is 2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium.
What is the SMILES notation for 2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium?
The canonical SMILES for 2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium is CC[N+](C)(CC)CCNC(=O)c1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of 2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium?
The InChIKey is CPUCHNFIESNQEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N5O/c1-4-19(3,5-2)11-10-16-14(20)12-6-8-13(9-7-12)17-18-15/h6-9H,4-5,10-11H2,1-3H3/p+1.
What are the key properties of 2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium?
2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium has a molecular weight of 276.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium is sourced from PubChem (CID 10250562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).