2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine

C26H35N2O6- — CID 20975902

IUPAC2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine
SMILESO=C([O-])C(=O)O.c1ccc2c(CC(CNCCN3CCOCC3)CC3CCCO3)cccc2c1
InChIInChI=1S/C24H34N2O2.C2H2O4/c1-2-9-24-21(5-1)6-3-7-22(24)17-20(18-23-8-4-14-28-23)19-25-10-11-26-12-15-27-16-13-26;3-1(4)2(5)6/h1-3,5-7,9,20,23,25H,4,8,10-19H2;(H,3,4)(H,5,6)/p-1
InChIKeyPJKVTZKSBGXCPP-UHFFFAOYSA-M
MW471.57 g/mol
LogP1.31
Rot. Bonds9

About 2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine

2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 20975902) has the molecular formula C26H35N2O6- and a molecular weight of 471.57 g/mol. Its IUPAC name is 2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID20975902
Molecular FormulaC26H35N2O6-
Molecular Weight471.57 g/mol
Exact Mass471.25
IUPAC Name2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine
SMILESO=C([O-])C(=O)O.c1ccc2c(CC(CNCCN3CCOCC3)CC3CCCO3)cccc2c1
InChIInChI=1S/C24H34N2O2.C2H2O4/c1-2-9-24-21(5-1)6-3-7-22(24)17-20(18-23-8-4-14-28-23)19-25-10-11-26-12-15-27-16-13-26;3-1(4)2(5)6/h1-3,5-7,9,20,23,25H,4,8,10-19H2;(H,3,4)(H,5,6)/p-1
InChIKeyPJKVTZKSBGXCPP-UHFFFAOYSA-M
XLogP1.31
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 25346
2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 25166
ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
CID 170452725
dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium
CID 5113288
diethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium;4-hydroxy-4-oxobut-2-enoate
CID 18543
N,N-dimethyl-2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethanamine
CID 27141
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride
CID 119834742
(1R)-2-(2-morpholin-4-ylethylamino)-1-phenylethanol
CID 39353337
(2R)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30625134
1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929660
N-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 108994232
4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoate
CID 19933009

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine (CID 20975902) is 2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine is O=C([O-])C(=O)O.c1ccc2c(CC(CNCCN3CCOCC3)CC3CCCO3)cccc2c1.
What is the InChIKey of 2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is PJKVTZKSBGXCPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H34N2O2.C2H2O4/c1-2-9-24-21(5-1)6-3-7-22(24)17-20(18-23-8-4-14-28-23)19-25-10-11-26-12-15-27-16-13-26;3-1(4)2(5)6/h1-3,5-7,9,20,23,25H,4,8,10-19H2;(H,3,4)(H,5,6)/p-1.
What are the key properties of 2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine?
2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 471.57 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 20975902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).