2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide

C12H19N3O2 — CID 80723754

IUPAC2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide
SMILESCCOc1cc(N)cc(NCC(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O2/c1-4-17-11-6-9(13)5-10(7-11)14-8-12(16)15(2)3/h5-7,14H,4,8,13H2,1-3H3
InChIKeyZPNOQQFWKGOQIW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.17
Rot. Bonds5

About 2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide

2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide (PubChem CID 80723754) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide
PubChem CID80723754
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide
SMILESCCOc1cc(N)cc(NCC(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O2/c1-4-17-11-6-9(13)5-10(7-11)14-8-12(16)15(2)3/h5-7,14H,4,8,13H2,1-3H3
InChIKeyZPNOQQFWKGOQIW-UHFFFAOYSA-N
XLogP1.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.17
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

5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine
CID 80734963
3,5-diethoxyaniline
CID 22605063
3-N-butyl-5-ethoxybenzene-1,3-diamine
CID 80722072
ethyl 2-(3-amino-5-methoxyanilino)acetate
CID 80730548
2-(3-amino-5-ethoxyanilino)-3-methylbutanamide
CID 114176141
2-(3-amino-5-methoxyanilino)acetamide
CID 80725904
3-N-(cyclohexylmethyl)-5-ethoxybenzene-1,3-diamine
CID 80723108
5-ethoxy-3-N-[(4-ethylcyclohexyl)methyl]benzene-1,3-diamine
CID 80738399
methyl 3-amino-5-ethoxybenzoate
CID 45089063
[3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol
CID 107231766
5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine
CID 80722151
3-ethoxy-5-methylaniline
CID 67863452

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide (CID 80723754) is 2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide is CCOc1cc(N)cc(NCC(=O)N(C)C)c1.
What is the InChIKey of 2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide?
The InChIKey is ZPNOQQFWKGOQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-17-11-6-9(13)5-10(7-11)14-8-12(16)15(2)3/h5-7,14H,4,8,13H2,1-3H3.
What are the key properties of 2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide?
2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide has a molecular weight of 237.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 80723754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).