ethyl 4-acetamido-4-phenylbutanoate

C14H19NO3 — CID 132511328

IUPACethyl 4-acetamido-4-phenylbutanoate
SMILESCCOC(=O)CCC(NC(C)=O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-18-14(17)10-9-13(15-11(2)16)12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,15,16)
InChIKeyGLNOLTSCNWKDSL-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.21
Rot. Bonds6

About ethyl 4-acetamido-4-phenylbutanoate

ethyl 4-acetamido-4-phenylbutanoate (PubChem CID 132511328) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 4-acetamido-4-phenylbutanoate.

Molecular Properties

Compound Nameethyl 4-acetamido-4-phenylbutanoate
PubChem CID132511328
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 4-acetamido-4-phenylbutanoate
SMILESCCOC(=O)CCC(NC(C)=O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-18-14(17)10-9-13(15-11(2)16)12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,15,16)
InChIKeyGLNOLTSCNWKDSL-UHFFFAOYSA-N
XLogP2.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297
ethyl 4-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienylamino]-4-phenylbutanoate
CID 176531261
ethyl (4R)-4-[[(R)-tert-butylsulfinyl]amino]-4-phenylbutanoate
CID 71661762
N-(4-oxo-1,4-diphenylbutyl)acetamide
CID 13252857
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoate
CID 14003425
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
(2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 61143217
ethyl 4-phenyl-4-phosphorosobutanoate
CID 174776094
ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
CID 62114406
ethyl 4-methyl-6-phenylheptanoate
CID 158915322
ethyl 4-phenoxy-4-phenylbutanoate
CID 151980337
ethyl 2-(1-phenylpropylamino)acetate
CID 60811471

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetamido-4-phenylbutanoate?
The IUPAC name of ethyl 4-acetamido-4-phenylbutanoate (CID 132511328) is ethyl 4-acetamido-4-phenylbutanoate.
What is the SMILES notation for ethyl 4-acetamido-4-phenylbutanoate?
The canonical SMILES for ethyl 4-acetamido-4-phenylbutanoate is CCOC(=O)CCC(NC(C)=O)c1ccccc1.
What is the InChIKey of ethyl 4-acetamido-4-phenylbutanoate?
The InChIKey is GLNOLTSCNWKDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-14(17)10-9-13(15-11(2)16)12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,15,16).
What are the key properties of ethyl 4-acetamido-4-phenylbutanoate?
ethyl 4-acetamido-4-phenylbutanoate has a molecular weight of 249.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetamido-4-phenylbutanoate is sourced from PubChem (CID 132511328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).