ethyl 2-(4-amino-N-ethylanilino)acetate

C12H18N2O2 — CID 63233621

IUPACethyl 2-(4-amino-N-ethylanilino)acetate
SMILESCCOC(=O)CN(CC)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O2/c1-3-14(9-12(15)16-4-2)11-7-5-10(13)6-8-11/h5-8H,3-4,9,13H2,1-2H3
InChIKeyKWMPNGIIAQEQFM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.66
Rot. Bonds5

About ethyl 2-(4-amino-N-ethylanilino)acetate

ethyl 2-(4-amino-N-ethylanilino)acetate (PubChem CID 63233621) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is ethyl 2-(4-amino-N-ethylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-N-ethylanilino)acetate
PubChem CID63233621
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameethyl 2-(4-amino-N-ethylanilino)acetate
SMILESCCOC(=O)CN(CC)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O2/c1-3-14(9-12(15)16-4-2)11-7-5-10(13)6-8-11/h5-8H,3-4,9,13H2,1-2H3
InChIKeyKWMPNGIIAQEQFM-UHFFFAOYSA-N
XLogP1.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate
CID 62006834
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CID 11709102
ethyl 2-(N-acetyl-4-aminoanilino)acetate
CID 18005693
ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate
CID 62006448
2-(4-amino-N-ethylanilino)-N-methylacetamide
CID 43577916
ethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate
CID 102131623
2-(4-amino-N-ethylanilino)-N-tert-butylacetamide
CID 63233665
ethyl 2-(2-amino-N-ethylanilino)acetate
CID 62102481
ethyl 2-(4-carbamothioyl-N-ethyl-3-methylanilino)acetate
CID 81276651
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4-N,4-N-diethylbenzene-1,4-diamine;2-fluoroacetic acid
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-N-ethylanilino)acetate?
The IUPAC name of ethyl 2-(4-amino-N-ethylanilino)acetate (CID 63233621) is ethyl 2-(4-amino-N-ethylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-amino-N-ethylanilino)acetate?
The canonical SMILES for ethyl 2-(4-amino-N-ethylanilino)acetate is CCOC(=O)CN(CC)c1ccc(N)cc1.
What is the InChIKey of ethyl 2-(4-amino-N-ethylanilino)acetate?
The InChIKey is KWMPNGIIAQEQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-14(9-12(15)16-4-2)11-7-5-10(13)6-8-11/h5-8H,3-4,9,13H2,1-2H3.
What are the key properties of ethyl 2-(4-amino-N-ethylanilino)acetate?
ethyl 2-(4-amino-N-ethylanilino)acetate has a molecular weight of 222.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-N-ethylanilino)acetate is sourced from PubChem (CID 63233621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).