2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide

C16H24N2O3 — CID 82064251

IUPAC2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide
SMILESCCCC(=O)c1ccc(OCC(=O)N(CC)CC)c(N)c1
InChIInChI=1S/C16H24N2O3/c1-4-7-14(19)12-8-9-15(13(17)10-12)21-11-16(20)18(5-2)6-3/h8-10H,4-7,11,17H2,1-3H3
InChIKeyBDIUSKZHHHONDT-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.50
Rot. Bonds8

About 2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide

2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide (PubChem CID 82064251) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide
PubChem CID82064251
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide
SMILESCCCC(=O)c1ccc(OCC(=O)N(CC)CC)c(N)c1
InChIInChI=1S/C16H24N2O3/c1-4-7-14(19)12-8-9-15(13(17)10-12)21-11-16(20)18(5-2)6-3/h8-10H,4-7,11,17H2,1-3H3
InChIKeyBDIUSKZHHHONDT-UHFFFAOYSA-N
XLogP2.50
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.50
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

1-[3-amino-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butan-1-one
CID 82064250
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
1-[3-amino-4-(2-phenylethoxy)phenyl]butan-1-one
CID 82064270
1-(3-amino-4-propoxyphenyl)-3-(dipropylamino)propan-1-one
CID 93213391
1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]butan-1-one
CID 82064262
2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide
CID 24690581
2-(4-carbamothioyl-2-fluorophenoxy)-N,N-diethylacetamide
CID 107665931
2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide
CID 16772841
1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone
CID 82258591
N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978059
1-(3-amino-4-bromophenyl)butan-1-one
CID 130156193
3-amino-4-ethoxy-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107770

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide?
The IUPAC name of 2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide (CID 82064251) is 2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide?
The canonical SMILES for 2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide is CCCC(=O)c1ccc(OCC(=O)N(CC)CC)c(N)c1.
What is the InChIKey of 2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide?
The InChIKey is BDIUSKZHHHONDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-7-14(19)12-8-9-15(13(17)10-12)21-11-16(20)18(5-2)6-3/h8-10H,4-7,11,17H2,1-3H3.
What are the key properties of 2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide?
2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide has a molecular weight of 292.38 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-butanoylphenoxy)-N,N-diethylacetamide is sourced from PubChem (CID 82064251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).