N-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide

C13H19N5O3 — CID 90399776

IUPACN-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide
SMILESCCOC(COc1cccc(C(=O)NCCN)c1)N=[N+]=[N-]
InChIInChI=1S/C13H19N5O3/c1-2-20-12(17-18-15)9-21-11-5-3-4-10(8-11)13(19)16-7-6-14/h3-5,8,12H,2,6-7,9,14H2,1H3,(H,16,19)
InChIKeyGJEFVGHNIRQQQR-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.43
Rot. Bonds9

About N-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide

N-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide (PubChem CID 90399776) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide
PubChem CID90399776
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide
SMILESCCOC(COc1cccc(C(=O)NCCN)c1)N=[N+]=[N-]
InChIInChI=1S/C13H19N5O3/c1-2-20-12(17-18-15)9-21-11-5-3-4-10(8-11)13(19)16-7-6-14/h3-5,8,12H,2,6-7,9,14H2,1H3,(H,16,19)
InChIKeyGJEFVGHNIRQQQR-UHFFFAOYSA-N
XLogP1.43
TPSA122.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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_3', 'substructure': 'N/A'}

Analyze N-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide 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

3-[2-azido-2-[2-[2-(tert-butylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(tert-butylamino)ethyl]benzamide
CID 164792384
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
1-sulfanylethyl 2-[2-[1-azido-2-[3-[2-(propan-2-ylamino)ethylcarbamoyl]phenoxy]ethoxy]ethoxy]acetate
CID 166770573
1-[3-[2-azido-2-(2-hydroxyethoxy)ethoxy]phenyl]ethanone
CID 137418489
N-(2-aminoethyl)-3-[2-amino-2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethoxy]benzamide
CID 167024259
3-[2-azido-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(methylamino)ethyl]benzamide
CID 155048686
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride
CID 119407722
3-[2-azido-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 159308381
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
3-[2-azido-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-(3-methylbutyl)benzamide
CID 168756251
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide?
The IUPAC name of N-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide (CID 90399776) is N-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide is CCOC(COc1cccc(C(=O)NCCN)c1)N=[N+]=[N-].
What is the InChIKey of N-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide?
The InChIKey is GJEFVGHNIRQQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-2-20-12(17-18-15)9-21-11-5-3-4-10(8-11)13(19)16-7-6-14/h3-5,8,12H,2,6-7,9,14H2,1H3,(H,16,19).
What are the key properties of N-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide?
N-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide has a molecular weight of 293.33 g/mol, XLogP of 1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-azido-2-ethoxyethoxy)benzamide is sourced from PubChem (CID 90399776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).