2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide

C15H25N3O2 — CID 117097567

IUPAC2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccc(NCCCN)c1
InChIInChI=1S/C15H25N3O2/c1-3-18(4-2)15(19)12-20-14-8-5-7-13(11-14)17-10-6-9-16/h5,7-8,11,17H,3-4,6,9-10,12,16H2,1-2H3
InChIKeyVFRDVSSONOPFDJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.69
Rot. Bonds9

About 2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide

2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide (PubChem CID 117097567) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide
PubChem CID117097567
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccc(NCCCN)c1
InChIInChI=1S/C15H25N3O2/c1-3-18(4-2)15(19)12-20-14-8-5-7-13(11-14)17-10-6-9-16/h5,7-8,11,17H,3-4,6,9-10,12,16H2,1-2H3
InChIKeyVFRDVSSONOPFDJ-UHFFFAOYSA-N
XLogP1.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acetamidophenoxy)-N,N-diethylacetamide
CID 7698145
N-(2-aminoethyl)-N-ethyl-2-(3-methoxyphenoxy)acetamide
CID 82354386
2-[3-(octylamino)phenoxy]acetamide
CID 43720155
3-[3-(3-aminopropylamino)phenoxy]propan-1-ol
CID 117097601
N,N-diethyl-2-(3-heptoxyanilino)acetamide
CID 54829038
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide
CID 119713892
1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide
CID 119284187
N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide
CID 83969246
N-methyl-2-[3-(octylamino)phenoxy]acetamide
CID 43693355
6-[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119180474
3-[3-(3-aminopropylamino)phenoxy]propane-1,2-diol
CID 117097595

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide (CID 117097567) is 2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1cccc(NCCCN)c1.
What is the InChIKey of 2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide?
The InChIKey is VFRDVSSONOPFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-18(4-2)15(19)12-20-14-8-5-7-13(11-14)17-10-6-9-16/h5,7-8,11,17H,3-4,6,9-10,12,16H2,1-2H3.
What are the key properties of 2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide?
2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide has a molecular weight of 279.38 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 117097567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).