2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide

C15H22N2O3 — CID 116540885

IUPAC2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc(N)cc1C(C)=O
InChIInChI=1S/C15H22N2O3/c1-5-17(6-2)15(19)11(4)20-14-8-7-12(16)9-13(14)10(3)18/h7-9,11H,5-6,16H2,1-4H3
InChIKeyMMAHSVLKQQFCLH-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.11
Rot. Bonds6

About 2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide

2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide (PubChem CID 116540885) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide
PubChem CID116540885
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc(N)cc1C(C)=O
InChIInChI=1S/C15H22N2O3/c1-5-17(6-2)15(19)11(4)20-14-8-7-12(16)9-13(14)10(3)18/h7-9,11H,5-6,16H2,1-4H3
InChIKeyMMAHSVLKQQFCLH-UHFFFAOYSA-N
XLogP2.11
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-amino-2-(trifluoromethyl)phenoxy]-N,N-diethylpropanamide
CID 61389463
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
2-(4-bromo-2-carbamothioylphenoxy)-N,N-diethylpropanamide
CID 83145220
methyl 5-amino-2-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoate
CID 106955681
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide
CID 60905451
2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide
CID 63598648
2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide
CID 43125653
1-[5-amino-2-(3-methylbutoxy)phenyl]ethanone
CID 116540998
5-amino-N,N-diethyl-2-(2-methylpropoxy)benzamide
CID 134821733
N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
CID 78933708
N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide
CID 43115697

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide?
The IUPAC name of 2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide (CID 116540885) is 2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide?
The canonical SMILES for 2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1ccc(N)cc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide?
The InChIKey is MMAHSVLKQQFCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-17(6-2)15(19)11(4)20-14-8-7-12(16)9-13(14)10(3)18/h7-9,11H,5-6,16H2,1-4H3.
What are the key properties of 2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide?
2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide is sourced from PubChem (CID 116540885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).