[2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate

C19H31NO4 — CID 42836939

IUPAC[2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate
SMILESCCCC(=O)OCC(O)CN(Cc1ccc(OC)cc1)CC(C)C
InChIInChI=1S/C19H31NO4/c1-5-6-19(22)24-14-17(21)13-20(11-15(2)3)12-16-7-9-18(23-4)10-8-16/h7-10,15,17,21H,5-6,11-14H2,1-4H3
InChIKeyBBGJNRRAVGJELK-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.86
Rot. Bonds11

About [2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate

[2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate (PubChem CID 42836939) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is [2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate.

Molecular Properties

Compound Name[2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate
PubChem CID42836939
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name[2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate
SMILESCCCC(=O)OCC(O)CN(Cc1ccc(OC)cc1)CC(C)C
InChIInChI=1S/C19H31NO4/c1-5-6-19(22)24-14-17(21)13-20(11-15(2)3)12-16-7-9-18(23-4)10-8-16/h7-10,15,17,21H,5-6,11-14H2,1-4H3
InChIKeyBBGJNRRAVGJELK-UHFFFAOYSA-N
XLogP2.86
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-hydroxy-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate
CID 42682150
[(2S)-3-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 93164021
[(2S)-3-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 93163907
(2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93160531
[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 46007143
(2S)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 93160526
[2-hydroxy-3-[(2-methylphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate
CID 46007343
[(2R)-3-[(3,4-dimethoxyphenyl)methyl-[(4-fluorophenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 93161092
[(2S)-3-[(4-fluorophenyl)methyl-[(2-methoxyphenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 93164283
(2S)-1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 93160834
(2S)-1-[(4-methoxyphenyl)methyl-(3-methylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93160644
[3-[benzyl(thiophen-2-ylmethyl)amino]-2-hydroxypropyl] butanoate
CID 42837187

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate?
The IUPAC name of [2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate (CID 42836939) is [2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate.
What is the SMILES notation for [2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate?
The canonical SMILES for [2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate is CCCC(=O)OCC(O)CN(Cc1ccc(OC)cc1)CC(C)C.
What is the InChIKey of [2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate?
The InChIKey is BBGJNRRAVGJELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4/c1-5-6-19(22)24-14-17(21)13-20(11-15(2)3)12-16-7-9-18(23-4)10-8-16/h7-10,15,17,21H,5-6,11-14H2,1-4H3.
What are the key properties of [2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate?
[2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate has a molecular weight of 337.46 g/mol, XLogP of 2.86, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]propyl] butanoate is sourced from PubChem (CID 42836939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).