2-(diethylamino)ethyl 4-aminobenzoate azide

C13H20N5O2- — CID 20841990

IUPAC2-(diethylamino)ethyl 4-aminobenzoate azide
SMILESCCN(CC)CCOC(=O)c1ccc(N)cc1.[N-]=[N+]=[N-]
InChIInChI=1S/C13H20N2O2.N3/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;1-3-2/h5-8H,3-4,9-10,14H2,1-2H3;/q;-1
InChIKeyRHKMIUDJMCISPY-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.63
Rot. Bonds6

About 2-(diethylamino)ethyl 4-aminobenzoate azide

2-(diethylamino)ethyl 4-aminobenzoate azide (PubChem CID 20841990) has the molecular formula C13H20N5O2- and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-aminobenzoate azide.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-aminobenzoate azide
PubChem CID20841990
Molecular FormulaC13H20N5O2-
Molecular Weight278.34 g/mol
Exact Mass278.16
IUPAC Name2-(diethylamino)ethyl 4-aminobenzoate azide
SMILESCCN(CC)CCOC(=O)c1ccc(N)cc1.[N-]=[N+]=[N-]
InChIInChI=1S/C13H20N2O2.N3/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;1-3-2/h5-8H,3-4,9-10,14H2,1-2H3;/q;-1
InChIKeyRHKMIUDJMCISPY-UHFFFAOYSA-N
XLogP2.63
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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'}

Analyze 2-(diethylamino)ethyl 4-aminobenzoate azide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride
CID 11756955
2-(diethylamino)ethyl 4-aminobenzoate tetrafluoroborate
CID 138319577
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride
CID 3073386
2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]ethyl 4-aminobenzoate;hydrochloride
CID 131884291
4-(diethylamino)butyl 4-aminobenzoate;hydrochloride
CID 131875080
[4-[2-(diethylamino)ethoxycarbonyl]phenyl]azanium chloride
CID 43833393
2-(diethylamino)ethyl 4-aminobenzoate;2-hydroxybenzoic acid;urea
CID 70631894
2-(diethylamino)ethyl 4-tert-butylbenzoate;hydrochloride
CID 2929493
2-(diethylamino)ethyl 4-[3-[4-[2-(diethylamino)ethoxycarbonyl]phenyl]propyl]benzoate
CID 24835252
2-(diethylamino)ethyl 4-amino-2-chlorobenzoate;ethyl 4-aminobenzoate
CID 67420819
2-(diethylamino)ethyl 4-[[3-[4-[2-(diethylamino)ethoxycarbonyl]anilino]-3-oxopropanoyl]amino]benzoate
CID 26846

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-aminobenzoate azide?
The IUPAC name of 2-(diethylamino)ethyl 4-aminobenzoate azide (CID 20841990) is 2-(diethylamino)ethyl 4-aminobenzoate azide.
What is the SMILES notation for 2-(diethylamino)ethyl 4-aminobenzoate azide?
The canonical SMILES for 2-(diethylamino)ethyl 4-aminobenzoate azide is CCN(CC)CCOC(=O)c1ccc(N)cc1.[N-]=[N+]=[N-].
What is the InChIKey of 2-(diethylamino)ethyl 4-aminobenzoate azide?
The InChIKey is RHKMIUDJMCISPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.N3/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;1-3-2/h5-8H,3-4,9-10,14H2,1-2H3;/q;-1.
What are the key properties of 2-(diethylamino)ethyl 4-aminobenzoate azide?
2-(diethylamino)ethyl 4-aminobenzoate azide has a molecular weight of 278.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-aminobenzoate azide is sourced from PubChem (CID 20841990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).