4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide

C15H24N2O4 — CID 103400871

IUPAC4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide
SMILESCOCCOCCCOc1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C15H24N2O4/c1-17(2)15(18)12-5-6-13(16)14(11-12)21-8-4-7-20-10-9-19-3/h5-6,11H,4,7-10,16H2,1-3H3
InChIKeyWQFWWABFOXNYCX-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.40
Rot. Bonds9

About 4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide

4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide (PubChem CID 103400871) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide
PubChem CID103400871
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide
SMILESCOCCOCCCOc1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C15H24N2O4/c1-17(2)15(18)12-5-6-13(16)14(11-12)21-8-4-7-20-10-9-19-3/h5-6,11H,4,7-10,16H2,1-3H3
InChIKeyWQFWWABFOXNYCX-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

3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941779
4-bromo-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103400937
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide
CID 103176836
methyl 4-amino-3-(3-ethoxypropoxy)benzoate
CID 65180377
methyl 4-amino-3-(2-butoxyethoxy)benzoate
CID 61483522
4-amino-3-(2-butoxyethoxy)benzamide
CID 63356668
4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide
CID 63358733
3-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564096
3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103408909
3-(2-methoxyethoxy)propyl 4-amino-3-bromobenzoate
CID 103403309
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide (CID 103400871) is 4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide is COCCOCCCOc1cc(C(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide?
The InChIKey is WQFWWABFOXNYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-17(2)15(18)12-5-6-13(16)14(11-12)21-8-4-7-20-10-9-19-3/h5-6,11H,4,7-10,16H2,1-3H3.
What are the key properties of 4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide?
4-amino-3-[3-(2-methoxyethoxy)propoxy]-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-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 103400871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).