methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate

C16H23NO4 — CID 43423411

IUPACmethyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)CCc1ccccc1O
InChIInChI=1S/C16H23NO4/c1-21-16(20)9-3-2-6-12-17-15(19)11-10-13-7-4-5-8-14(13)18/h4-5,7-8,18H,2-3,6,9-12H2,1H3,(H,17,19)
InChIKeyPUMZGAOTLGLVLG-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.17
Rot. Bonds9

About methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate

methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate (PubChem CID 43423411) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate
PubChem CID43423411
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)CCc1ccccc1O
InChIInChI=1S/C16H23NO4/c1-21-16(20)9-3-2-6-12-17-15(19)11-10-13-7-4-5-8-14(13)18/h4-5,7-8,18H,2-3,6,9-12H2,1H3,(H,17,19)
InChIKeyPUMZGAOTLGLVLG-UHFFFAOYSA-N
XLogP2.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[3-(2-chlorophenyl)propanoylamino]hexanoate
CID 43404503
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide
CID 31676938
tert-butyl N-[3-[3-(2-hydroxyphenyl)propanoylamino]propyl]-N-[12-[3-[3-(2-hydroxyphenyl)propanoylamino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]dodecyl]carbamate
CID 73347887
methyl 6-[3-(1,3-benzothiazol-2-yl)propanoylamino]hexanoate
CID 9221053
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
CID 106843312
methyl 6-(2-phenylpropanoylamino)hexanoate
CID 104916813
methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate
CID 60591384
methyl 5-(octadecanoylamino)pentanoate
CID 155660844
methyl 10-(octadecanoylamino)decanoate
CID 54073329
methyl 6-(nonanoylamino)hexanoate
CID 43423430

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate?
The IUPAC name of methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate (CID 43423411) is methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate.
What is the SMILES notation for methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate?
The canonical SMILES for methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate is COC(=O)CCCCCNC(=O)CCc1ccccc1O.
What is the InChIKey of methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate?
The InChIKey is PUMZGAOTLGLVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-21-16(20)9-3-2-6-12-17-15(19)11-10-13-7-4-5-8-14(13)18/h4-5,7-8,18H,2-3,6,9-12H2,1H3,(H,17,19).
What are the key properties of methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate?
methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate has a molecular weight of 293.36 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate is sourced from PubChem (CID 43423411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).