ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate

C15H19NO5 — CID 62114406

IUPACethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H19NO5/c1-3-21-13(18)10-9-12(17)16-14(15(19)20-2)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyVTDKAVOEWAWSBZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.36
Rot. Bonds7

About ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate

ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate (PubChem CID 62114406) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
PubChem CID62114406
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Nameethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H19NO5/c1-3-21-13(18)10-9-12(17)16-14(15(19)20-2)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyVTDKAVOEWAWSBZ-UHFFFAOYSA-N
XLogP1.36
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 61143217
methyl 2-(3-ethoxypropanoylamino)-2-phenylacetate
CID 55091693
methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate
CID 95288517
(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 108808775
methyl 2-(5-aminohexanoylamino)-2-phenylacetate
CID 82851192
ethyl 4-(butanoylamino)-3-oxo-4-phenylbutanoate
CID 102588141
methyl 2-(4-aminobutanoylamino)-2-phenylacetate;hydrochloride
CID 119280894
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-2-phenylacetic acid
CID 103862426
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate
CID 62111192
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-(3-methylpentanoylamino)-2-phenylacetate
CID 85168075

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate (CID 62114406) is ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)NC(C(=O)OC)c1ccccc1.
What is the InChIKey of ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate?
The InChIKey is VTDKAVOEWAWSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-21-13(18)10-9-12(17)16-14(15(19)20-2)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3,(H,16,17).
What are the key properties of ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate?
ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate has a molecular weight of 293.32 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate is sourced from PubChem (CID 62114406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).