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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Related Compounds

2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide
CID 63670160
2-amino-4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]benzoic acid
CID 104500358
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991178
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991287
2-[(5-amino-6-methoxy-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 43588124
2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 104533388
2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide
CID 62134065
2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide
CID 81298979
1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene
CID 175558258
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one
CID 82052966

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).