ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate

C14H19NO4 — CID 115141811

IUPACethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C14H19NO4/c1-5-19-14(17)13(16)15-10-6-7-12(18-4)11(8-10)9(2)3/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyGPIBOJJGCNNBEG-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.32
Rot. Bonds4

About ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate

ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate (PubChem CID 115141811) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate
PubChem CID115141811
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C14H19NO4/c1-5-19-14(17)13(16)15-10-6-7-12(18-4)11(8-10)9(2)3/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyGPIBOJJGCNNBEG-UHFFFAOYSA-N
XLogP2.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.32
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

methyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate
CID 115142148
ethyl 2-[3-[(2-ethoxy-2-oxoacetyl)amino]-4-methoxyanilino]-2-oxoacetate
CID 12897325
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
methyl 3-(4-methoxy-3-propan-2-ylanilino)-3-oxopropanoate
CID 115174107
(4-methoxy-3-propan-2-ylphenyl)carbamothioic S-acid
CID 115169665
ethyl 2-[(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)amino]-2-oxoacetate
CID 123450655
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368
ethyl 2-(4-chloro-3-methylanilino)-2-oxoacetate
CID 121223568
dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 59273360
3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide
CID 115173483
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate?
The IUPAC name of ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate (CID 115141811) is ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate is CCOC(=O)C(=O)Nc1ccc(OC)c(C(C)C)c1.
What is the InChIKey of ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate?
The InChIKey is GPIBOJJGCNNBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-5-19-14(17)13(16)15-10-6-7-12(18-4)11(8-10)9(2)3/h6-9H,5H2,1-4H3,(H,15,16).
What are the key properties of ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate?
ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate has a molecular weight of 265.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate is sourced from PubChem (CID 115141811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).