2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide

C13H21N3O2 — CID 63670161

IUPAC2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1ccc(N)c(OC)c1
InChIInChI=1S/C13H21N3O2/c1-5-16(9-13(17)15(2)3)10-6-7-11(14)12(8-10)18-4/h6-8H,5,9,14H2,1-4H3
InChIKeyKKTHZKCJEZDWLN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.19
Rot. Bonds5

About 2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide

2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide (PubChem CID 63670161) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide
PubChem CID63670161
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1ccc(N)c(OC)c1
InChIInChI=1S/C13H21N3O2/c1-5-16(9-13(17)15(2)3)10-6-7-11(14)12(8-10)18-4/h6-8H,5,9,14H2,1-4H3
InChIKeyKKTHZKCJEZDWLN-UHFFFAOYSA-N
XLogP1.19
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide (CID 63670161) is 2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1ccc(N)c(OC)c1.
What is the InChIKey of 2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide?
The InChIKey is KKTHZKCJEZDWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-16(9-13(17)15(2)3)10-6-7-11(14)12(8-10)18-4/h6-8H,5,9,14H2,1-4H3.
What are the key properties of 2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide?
2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 63670161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).