methyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate

C16H25NO4 — CID 82348433

IUPACmethyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate
SMILESCCCNC(CC(=O)OC)C(O)c1ccc(OCC)cc1
InChIInChI=1S/C16H25NO4/c1-4-10-17-14(11-15(18)20-3)16(19)12-6-8-13(9-7-12)21-5-2/h6-9,14,16-17,19H,4-5,10-11H2,1-3H3
InChIKeyANHPJHOBRADDLO-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.05
Rot. Bonds9

About methyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate

methyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate (PubChem CID 82348433) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate
PubChem CID82348433
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namemethyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate
SMILESCCCNC(CC(=O)OC)C(O)c1ccc(OCC)cc1
InChIInChI=1S/C16H25NO4/c1-4-10-17-14(11-15(18)20-3)16(19)12-6-8-13(9-7-12)21-5-2/h6-9,14,16-17,19H,4-5,10-11H2,1-3H3
InChIKeyANHPJHOBRADDLO-UHFFFAOYSA-N
XLogP2.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate
CID 82348400
methyl 4-hydroxy-3-(3-hydroxypropylamino)-4-(4-methoxyphenyl)butanoate
CID 82348348
methyl (3R)-3-amino-3-(4-ethoxyphenyl)propanoate;hydrochloride
CID 171246532
1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82314062
methyl 4-hydroxy-3-(3-methoxypropylamino)-4-(4-methylphenyl)butanoate
CID 82347489
4-hydroxy-4-(4-methylphenyl)-3-(propylamino)butanoic acid
CID 82347436
4-(4-fluorophenyl)-4-hydroxy-3-(propylamino)butanoic acid
CID 82347951
methyl 4-hydroxy-3-(3-methoxypropylamino)-4-phenylbutanoate
CID 82347295
methyl 4-hydroxy-3-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate
CID 82348500
methyl 3-(4-ethoxyphenoxy)butanoate
CID 43535934
1-(4-ethoxyphenyl)-2-(2-methylpropylamino)butan-1-ol
CID 82314041
methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate?
The IUPAC name of methyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate (CID 82348433) is methyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate.
What is the SMILES notation for methyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate?
The canonical SMILES for methyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate is CCCNC(CC(=O)OC)C(O)c1ccc(OCC)cc1.
What is the InChIKey of methyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate?
The InChIKey is ANHPJHOBRADDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-4-10-17-14(11-15(18)20-3)16(19)12-6-8-13(9-7-12)21-5-2/h6-9,14,16-17,19H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate?
methyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate has a molecular weight of 295.38 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate is sourced from PubChem (CID 82348433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).