2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide

C14H21N3O3 — CID 104528615

IUPAC2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C14H21N3O3/c1-10(18)12-5-4-11(8-13(12)15)17(2)9-14(19)16-6-7-20-3/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,19)
InChIKeyGIFOAHQCKQDHJL-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.67
Rot. Bonds7

About 2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide

2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 104528615) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide
PubChem CID104528615
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C14H21N3O3/c1-10(18)12-5-4-11(8-13(12)15)17(2)9-14(19)16-6-7-20-3/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,19)
InChIKeyGIFOAHQCKQDHJL-UHFFFAOYSA-N
XLogP0.67
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide
CID 104528378
1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone
CID 104528435
2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54989562
3-amino-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]benzoic acid
CID 115934570
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 81132098
N-(2-methoxyethyl)-2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide
CID 81214860
2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 55139193
2-(N,4-diacetylanilino)-N-(2-methoxyethyl)acetamide
CID 113175557
1-[2-amino-4-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone
CID 104528635
2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide
CID 75430959
1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone
CID 104528628
2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide
CID 55173821

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide (CID 104528615) is 2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)c1ccc(C(C)=O)c(N)c1.
What is the InChIKey of 2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is GIFOAHQCKQDHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(18)12-5-4-11(8-13(12)15)17(2)9-14(19)16-6-7-20-3/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,19).
What are the key properties of 2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide?
2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 104528615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).