ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate

C13H17NO4 — CID 28710232

IUPACethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate
SMILESCCOC(=O)C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C13H17NO4/c1-4-17-13(16)12(15)14-10-5-7-11(8-6-10)18-9(2)3/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyTVQKMNRMDDBKPJ-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.98
Rot. Bonds4

About ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate

ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate (PubChem CID 28710232) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate
PubChem CID28710232
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate
SMILESCCOC(=O)C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C13H17NO4/c1-4-17-13(16)12(15)14-10-5-7-11(8-6-10)18-9(2)3/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyTVQKMNRMDDBKPJ-UHFFFAOYSA-N
XLogP1.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622
ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
CID 43445676
N'-(2-ethoxyphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
CID 108987263
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 47415261
2-(4-ethoxyphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 19177758
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate
CID 110461558

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate?
The IUPAC name of ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate (CID 28710232) is ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate is CCOC(=O)C(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate?
The InChIKey is TVQKMNRMDDBKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-4-17-13(16)12(15)14-10-5-7-11(8-6-10)18-9(2)3/h5-9H,4H2,1-3H3,(H,14,15).
What are the key properties of ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate?
ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate has a molecular weight of 251.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate is sourced from PubChem (CID 28710232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).