2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide

C14H21N3O2 — CID 104613106

IUPAC2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C14H21N3O2/c1-4-17(5-2)14(19)9-16-11-6-7-13(15)12(8-11)10(3)18/h6-8,16H,4-5,9,15H2,1-3H3
InChIKeyMKTSYMUTACHCLP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.75
Rot. Bonds6

About 2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide

2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide (PubChem CID 104613106) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide
PubChem CID104613106
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C14H21N3O2/c1-4-17(5-2)14(19)9-16-11-6-7-13(15)12(8-11)10(3)18/h6-8,16H,4-5,9,15H2,1-3H3
InChIKeyMKTSYMUTACHCLP-UHFFFAOYSA-N
XLogP1.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-5-(2-methylpropylamino)phenyl]ethanone
CID 104612186
2-(3-acetyl-4-aminoanilino)-1-pyrrolidin-1-ylethanone
CID 104613107
1-[2-amino-5-(3-methylbut-2-enylamino)phenyl]ethanone
CID 106182377
N,N-diethyl-2-(4-hydroxyanilino)acetamide
CID 11806273
2-(3,5-dimethylanilino)-N,N-diethylacetamide
CID 28582869
4-(3-acetyl-4-aminoanilino)butanamide
CID 113432981
1-[2-amino-5-(2-methylsulfanylethylamino)phenyl]ethanone
CID 104612845
1-[2-amino-5-(3-methylbutylamino)phenyl]ethanone
CID 104612208
3-(3,4-diaminoanilino)-N,N-diethylpropanamide
CID 106751126
3-[2-(3-acetyl-4-aminoanilino)ethyl]-1,1-dimethylurea
CID 104613081
ethyl 2-(4-acetyl-3-aminoanilino)acetate
CID 104528454
1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone
CID 104612184

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide?
The IUPAC name of 2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide (CID 104613106) is 2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide?
The canonical SMILES for 2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide is CCN(CC)C(=O)CNc1ccc(N)c(C(C)=O)c1.
What is the InChIKey of 2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide?
The InChIKey is MKTSYMUTACHCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-17(5-2)14(19)9-16-11-6-7-13(15)12(8-11)10(3)18/h6-8,16H,4-5,9,15H2,1-3H3.
What are the key properties of 2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide?
2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide has a molecular weight of 263.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide is sourced from PubChem (CID 104613106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).