4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide

C14H22N2O4 — CID 104559956

IUPAC4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide
SMILESCCNC(=O)c1ccc(N)cc1OCCOCCOC
InChIInChI=1S/C14H22N2O4/c1-3-16-14(17)12-5-4-11(15)10-13(12)20-9-8-19-7-6-18-2/h4-5,10H,3,6-9,15H2,1-2H3,(H,16,17)
InChIKeyXBTVYHHCTQDZES-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.06
Rot. Bonds9

About 4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide

4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide (PubChem CID 104559956) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide
PubChem CID104559956
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide
SMILESCCNC(=O)c1ccc(N)cc1OCCOCCOC
InChIInChI=1S/C14H22N2O4/c1-3-16-14(17)12-5-4-11(15)10-13(12)20-9-8-19-7-6-18-2/h4-5,10H,3,6-9,15H2,1-2H3,(H,16,17)
InChIKeyXBTVYHHCTQDZES-UHFFFAOYSA-N
XLogP1.06
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]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

4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride
CID 102159784
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide
CID 103176833
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide
CID 103176836
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
4-amino-N-ethyl-2-(2-methylpentoxy)benzamide
CID 103282874
5-amino-2-ethoxy-N-ethylbenzamide
CID 28689994
benzene-1,4-diamine;2,5-bis[2-(2-propoxyethoxy)ethoxy]terephthalic acid
CID 90762646
4-amino-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 86046967
5-amino-N-ethyl-2-(3-methoxypropylamino)benzamide
CID 100640478
2-amino-4-butoxy-N-ethyl-3-methoxybenzamide
CID 162701414
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide?
The IUPAC name of 4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide (CID 104559956) is 4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide?
The canonical SMILES for 4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide is CCNC(=O)c1ccc(N)cc1OCCOCCOC.
What is the InChIKey of 4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide?
The InChIKey is XBTVYHHCTQDZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-16-14(17)12-5-4-11(15)10-13(12)20-9-8-19-7-6-18-2/h4-5,10H,3,6-9,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide?
4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide has a molecular weight of 282.34 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide is sourced from PubChem (CID 104559956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).