[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate

C28H29NO6 — CID 14523338

IUPAC[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate
SMILESCOC(=O)[C@@H](OC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C28H29NO6/c1-33-28(32)26(21-9-3-2-4-10-21)35-27(31)23(19-25(30)29-14-16-34-17-15-29)18-22-12-7-11-20-8-5-6-13-24(20)22/h2-13,23,26H,14-19H2,1H3/t23-,26+/m1/s1
InChIKeyMIEDPCMOYUJENV-BVAGGSTKSA-N
MW475.54 g/mol
LogP3.70
Rot. Bonds8

About [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate

[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate (PubChem CID 14523338) has the molecular formula C28H29NO6 and a molecular weight of 475.54 g/mol. Its IUPAC name is [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate.

Molecular Properties

Compound Name[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate
PubChem CID14523338
Molecular FormulaC28H29NO6
Molecular Weight475.54 g/mol
Exact Mass475.20
IUPAC Name[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate
SMILESCOC(=O)[C@@H](OC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C28H29NO6/c1-33-28(32)26(21-9-3-2-4-10-21)35-27(31)23(19-25(30)29-14-16-34-17-15-29)18-22-12-7-11-20-8-5-6-13-24(20)22/h2-13,23,26H,14-19H2,1H3/t23-,26+/m1/s1
InChIKeyMIEDPCMOYUJENV-BVAGGSTKSA-N
XLogP3.70
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate
CID 19933009
(2S)-3-(1-hydroxyimidazol-4-yl)-2-[[4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]propanoic acid
CID 70362709
(2S)-3-(1H-imidazol-5-yl)-2-[[4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]propanoic acid;hydrate
CID 70362710
(3S)-4-methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoate
CID 7168133
(2S)-3-[[6-amino-2-[[4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]hexanoyl]amino]-2-hydroxy-5-methylhexanoic acid
CID 70052295
propan-2-yl (2S,3S)-2-hydroxy-3-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]propanoyl]amino]butanoate
CID 102059571
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-naphthalen-1-ylacetamide
CID 51960254
tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate
CID 18948430
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442
N-(2-morpholin-4-yl-1-phenylethyl)-2-naphthalen-1-ylacetamide
CID 18166740
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate?
The IUPAC name of [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate (CID 14523338) is [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate.
What is the SMILES notation for [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate?
The canonical SMILES for [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate is COC(=O)[C@@H](OC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate?
The InChIKey is MIEDPCMOYUJENV-BVAGGSTKSA-N. The full InChI is InChI=1S/C28H29NO6/c1-33-28(32)26(21-9-3-2-4-10-21)35-27(31)23(19-25(30)29-14-16-34-17-15-29)18-22-12-7-11-20-8-5-6-13-24(20)22/h2-13,23,26H,14-19H2,1H3/t23-,26+/m1/s1.
What are the key properties of [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate?
[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate has a molecular weight of 475.54 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate is sourced from PubChem (CID 14523338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).