2-(4-aminophenoxy)-N-ethyl-N-propylacetamide

C13H20N2O2 — CID 61094181

IUPAC2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
SMILESCCCN(CC)C(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-3-9-15(4-2)13(16)10-17-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10,14H2,1-2H3
InChIKeyCUGBFXXOHZFRSV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.91
Rot. Bonds6

About 2-(4-aminophenoxy)-N-ethyl-N-propylacetamide

2-(4-aminophenoxy)-N-ethyl-N-propylacetamide (PubChem CID 61094181) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-ethyl-N-propylacetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
PubChem CID61094181
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
SMILESCCCN(CC)C(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-3-9-15(4-2)13(16)10-17-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10,14H2,1-2H3
InChIKeyCUGBFXXOHZFRSV-UHFFFAOYSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-N-(2-ethoxyethyl)-N-ethylacetamide
CID 63696448
2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide
CID 43268912
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
CID 54998119
2-(4-aminophenoxy)-N-ethyl-N-(2-ethylbutyl)acetamide
CID 61092927
4-[2-(dipropylamino)-2-oxoethoxy]benzamide
CID 8566203
N,N-diethyl-2-(4-sulfanylphenoxy)acetamide
CID 23092623
4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide
CID 7955371
2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide
CID 71326234
3-[ethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 61007797
3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325601
N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide
CID 83969246
N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908693

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-ethyl-N-propylacetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-ethyl-N-propylacetamide (CID 61094181) is 2-(4-aminophenoxy)-N-ethyl-N-propylacetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-ethyl-N-propylacetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-ethyl-N-propylacetamide is CCCN(CC)C(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-ethyl-N-propylacetamide?
The InChIKey is CUGBFXXOHZFRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-9-15(4-2)13(16)10-17-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10,14H2,1-2H3.
What are the key properties of 2-(4-aminophenoxy)-N-ethyl-N-propylacetamide?
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-ethyl-N-propylacetamide is sourced from PubChem (CID 61094181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).