4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide

C14H22N2O4 — CID 103176833

IUPAC4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1OCCOCCCOC
InChIInChI=1S/C14H22N2O4/c1-16-14(17)12-5-4-11(15)10-13(12)20-9-8-19-7-3-6-18-2/h4-5,10H,3,6-9,15H2,1-2H3,(H,16,17)
InChIKeyRZNKPYZOYSNSIQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.06
Rot. Bonds9

About 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide

4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide (PubChem CID 103176833) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide
PubChem CID103176833
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1OCCOCCCOC
InChIInChI=1S/C14H22N2O4/c1-16-14(17)12-5-4-11(15)10-13(12)20-9-8-19-7-3-6-18-2/h4-5,10H,3,6-9,15H2,1-2H3,(H,16,17)
InChIKeyRZNKPYZOYSNSIQ-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'}

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Related Compounds

4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide
CID 103176836
4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 104559956
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride
CID 102159784
2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate
CID 103179269
4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide
CID 115505387
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
2-(3-methoxypropoxy)ethyl 4-amino-2-chlorobenzoate
CID 103178455
3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate
CID 103403389
4-amino-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 86046967
4-bromo-2-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 103177666
5-amino-2-[2-(2-methoxyethoxy)ethoxy]benzenesulfonamide
CID 104560023

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide?
The IUPAC name of 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide (CID 103176833) is 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide?
The canonical SMILES for 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide is CNC(=O)c1ccc(N)cc1OCCOCCCOC.
What is the InChIKey of 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide?
The InChIKey is RZNKPYZOYSNSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-16-14(17)12-5-4-11(15)10-13(12)20-9-8-19-7-3-6-18-2/h4-5,10H,3,6-9,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide?
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide 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-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide is sourced from PubChem (CID 103176833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).