tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate

C16H23NO4 — CID 106707086

IUPACtert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(20)9-8-14(19)17-13-6-4-12(5-7-13)10-11-18/h4-7,18H,8-11H2,1-3H3,(H,17,19)
InChIKeyRPMGEHFFMOEFNO-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.28
Rot. Bonds6

About tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate

tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate (PubChem CID 106707086) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate
PubChem CID106707086
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(20)9-8-14(19)17-13-6-4-12(5-7-13)10-11-18/h4-7,18H,8-11H2,1-3H3,(H,17,19)
InChIKeyRPMGEHFFMOEFNO-UHFFFAOYSA-N
XLogP2.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(4-ethoxyanilino)-4-oxobutanoate
CID 106706844
tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 46841627
4-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]benzoic acid
CID 172541501
tert-butyl 4-(4-methoxy-3-methylanilino)-4-oxobutanoate
CID 106707197
tert-butyl 4-(4-bromo-3-methylanilino)-4-oxobutanoate
CID 106706877
2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61222140
tert-butyl 4-(3-chloro-4-fluoroanilino)-4-oxobutanoate
CID 106706994
N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103771888
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate
CID 2835080
ethyl 4-[4-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino]-4-oxobutanoate
CID 70060248
tert-butyl 4-oxo-4-(2-phenylethylamino)butanoate
CID 106706933

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate (CID 106707086) is tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate is CC(C)(C)OC(=O)CCC(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate?
The InChIKey is RPMGEHFFMOEFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)9-8-14(19)17-13-6-4-12(5-7-13)10-11-18/h4-7,18H,8-11H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate?
tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate has a molecular weight of 293.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate is sourced from PubChem (CID 106707086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).