4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate

C19H20NO4- — CID 19933009

IUPAC4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate
SMILESO=C([O-])C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12
InChIInChI=1S/C19H21NO4/c21-18(20-8-10-24-11-9-20)13-16(19(22)23)12-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,16H,8-13H2,(H,22,23)/p-1
InChIKeyDZUVNFGGHZODSB-UHFFFAOYSA-M
MW326.37 g/mol
LogP1.00
Rot. Bonds5

About 4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate

4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate (PubChem CID 19933009) has the molecular formula C19H20NO4- and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate.

Molecular Properties

Compound Name4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate
PubChem CID19933009
Molecular FormulaC19H20NO4-
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate
SMILESO=C([O-])C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12
InChIInChI=1S/C19H21NO4/c21-18(20-8-10-24-11-9-20)13-16(19(22)23)12-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,16H,8-13H2,(H,22,23)/p-1
InChIKeyDZUVNFGGHZODSB-UHFFFAOYSA-M
XLogP1.00
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate
CID 14523338
(2S)-2-(azaniumylmethyl)-3-naphthalen-1-ylpropanoate
CID 29061426
(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
(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
morpholin-4-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 31695814
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55495315
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide
CID 6724203
tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate
CID 18948430

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate?
The IUPAC name of 4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate (CID 19933009) is 4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate.
What is the SMILES notation for 4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate?
The canonical SMILES for 4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate is O=C([O-])C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12.
What is the InChIKey of 4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate?
The InChIKey is DZUVNFGGHZODSB-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H21NO4/c21-18(20-8-10-24-11-9-20)13-16(19(22)23)12-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,16H,8-13H2,(H,22,23)/p-1.
What are the key properties of 4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate?
4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate has a molecular weight of 326.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate is sourced from PubChem (CID 19933009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).