ethyl 2-(N-acetyl-4-aminoanilino)acetate

C12H16N2O3 — CID 18005693

IUPACethyl 2-(N-acetyl-4-aminoanilino)acetate
SMILESCCOC(=O)CN(C(C)=O)c1ccc(N)cc1
InChIInChI=1S/C12H16N2O3/c1-3-17-12(16)8-14(9(2)15)11-6-4-10(13)5-7-11/h4-7H,3,8,13H2,1-2H3
InChIKeyMQVJXYJXFGIHAQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.18
Rot. Bonds4

About ethyl 2-(N-acetyl-4-aminoanilino)acetate

ethyl 2-(N-acetyl-4-aminoanilino)acetate (PubChem CID 18005693) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 2-(N-acetyl-4-aminoanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-acetyl-4-aminoanilino)acetate
PubChem CID18005693
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 2-(N-acetyl-4-aminoanilino)acetate
SMILESCCOC(=O)CN(C(C)=O)c1ccc(N)cc1
InChIInChI=1S/C12H16N2O3/c1-3-17-12(16)8-14(9(2)15)11-6-4-10(13)5-7-11/h4-7H,3,8,13H2,1-2H3
InChIKeyMQVJXYJXFGIHAQ-UHFFFAOYSA-N
XLogP1.18
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-amino-N-ethylanilino)acetate
CID 63233621
ethyl 3-(N-(2-ethoxy-2-oxoethyl)-4-methoxyanilino)-3-oxopropanoate
CID 46398234
ethyl 4-[2-(N-acetyl-4-methylanilino)acetyl]piperazine-1-carboxylate
CID 113167712
methyl 2-(N-acetyl-3-aminoanilino)acetate
CID 68837946
ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate
CID 14856955
N-(4-aminophenyl)-2-methoxy-N-propylacetamide
CID 63233545
methyl 2-(N-acetyl-4-acetyloxyanilino)acetate
CID 22630317
ethyl acetate;4-methylaniline
CID 159639684
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
CID 11709102
ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686
ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate
CID 13084468
ethyl 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]acetate
CID 10663093

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-acetyl-4-aminoanilino)acetate?
The IUPAC name of ethyl 2-(N-acetyl-4-aminoanilino)acetate (CID 18005693) is ethyl 2-(N-acetyl-4-aminoanilino)acetate.
What is the SMILES notation for ethyl 2-(N-acetyl-4-aminoanilino)acetate?
The canonical SMILES for ethyl 2-(N-acetyl-4-aminoanilino)acetate is CCOC(=O)CN(C(C)=O)c1ccc(N)cc1.
What is the InChIKey of ethyl 2-(N-acetyl-4-aminoanilino)acetate?
The InChIKey is MQVJXYJXFGIHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-17-12(16)8-14(9(2)15)11-6-4-10(13)5-7-11/h4-7H,3,8,13H2,1-2H3.
What are the key properties of ethyl 2-(N-acetyl-4-aminoanilino)acetate?
ethyl 2-(N-acetyl-4-aminoanilino)acetate has a molecular weight of 236.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-acetyl-4-aminoanilino)acetate is sourced from PubChem (CID 18005693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).