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

C15H24N2O4 — CID 103176836

IUPAC4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide
SMILESCOCCCOCCOc1cc(N)ccc1C(=O)N(C)C
InChIInChI=1S/C15H24N2O4/c1-17(2)15(18)13-6-5-12(16)11-14(13)21-10-9-20-8-4-7-19-3/h5-6,11H,4,7-10,16H2,1-3H3
InChIKeyMGLYRJQITUSAHV-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.40
Rot. Bonds9

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

4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide (PubChem CID 103176836) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide
PubChem CID103176836
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide
SMILESCOCCCOCCOc1cc(N)ccc1C(=O)N(C)C
InChIInChI=1S/C15H24N2O4/c1-17(2)15(18)13-6-5-12(16)11-14(13)21-10-9-20-8-4-7-19-3/h5-6,11H,4,7-10,16H2,1-3H3
InChIKeyMGLYRJQITUSAHV-UHFFFAOYSA-N
XLogP1.40
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
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-methylbenzamide
CID 103176833
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-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 104559956
4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide
CID 66233795
2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate
CID 103179269
4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide
CID 103400871
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-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,N-dimethylbenzamide?
The IUPAC name of 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide (CID 103176836) is 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide is COCCCOCCOc1cc(N)ccc1C(=O)N(C)C.
What is the InChIKey of 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide?
The InChIKey is MGLYRJQITUSAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-17(2)15(18)13-6-5-12(16)11-14(13)21-10-9-20-8-4-7-19-3/h5-6,11H,4,7-10,16H2,1-3H3.
What are the key properties of 4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide?
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide has a molecular weight of 296.37 g/mol, XLogP of 1.40, 9 rotatable bonds, 1 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,N-dimethylbenzamide is sourced from PubChem (CID 103176836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).