tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate

C24H33NO4 — CID 18948430

IUPACtert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate
SMILESCC(C)(C)OC(=O)C(Cc1cccc2ccccc12)CC(O)CN1CCOCC1
InChIInChI=1S/C24H33NO4/c1-24(2,3)29-23(27)20(16-21(26)17-25-11-13-28-14-12-25)15-19-9-6-8-18-7-4-5-10-22(18)19/h4-10,20-21,26H,11-17H2,1-3H3
InChIKeyZOTWNHFPZAAJNV-UHFFFAOYSA-N
MW399.53 g/mol
LogP3.42
Rot. Bonds7

About tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate

tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate (PubChem CID 18948430) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate
PubChem CID18948430
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Nametert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate
SMILESCC(C)(C)OC(=O)C(Cc1cccc2ccccc12)CC(O)CN1CCOCC1
InChIInChI=1S/C24H33NO4/c1-24(2,3)29-23(27)20(16-21(26)17-25-11-13-28-14-12-25)15-19-9-6-8-18-7-4-5-10-22(18)19/h4-10,20-21,26H,11-17H2,1-3H3
InChIKeyZOTWNHFPZAAJNV-UHFFFAOYSA-N
XLogP3.42
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate
CID 121437761
1-[methyl(2-naphthalen-1-ylethyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110922046
[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate
CID 14523338
4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate
CID 19933009
5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol
CID 105091563
tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
CID 95635851
4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 124852194
N-(2-morpholin-4-yl-1-phenylethyl)-2-naphthalen-1-ylacetamide
CID 18166740
tert-butyl 4-[(2S,4R)-4-benzyl-2-hydroxy-5-(2-hydroxypropan-2-ylamino)-5-oxopentyl]piperazine-1-carboxylate
CID 142065820
(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol
CID 2058887
morpholin-4-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 31695814
tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
CID 174374928

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate?
The IUPAC name of tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate (CID 18948430) is tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate.
What is the SMILES notation for tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate?
The canonical SMILES for tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate is CC(C)(C)OC(=O)C(Cc1cccc2ccccc12)CC(O)CN1CCOCC1.
What is the InChIKey of tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate?
The InChIKey is ZOTWNHFPZAAJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-24(2,3)29-23(27)20(16-21(26)17-25-11-13-28-14-12-25)15-19-9-6-8-18-7-4-5-10-22(18)19/h4-10,20-21,26H,11-17H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate?
tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate has a molecular weight of 399.53 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate is sourced from PubChem (CID 18948430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).