N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide

C22H32F4N2O6 — CID 46060170

IUPACN-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC1CN(CC(O)COCC(F)(F)C(F)F)CCO1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H32F4N2O6/c1-31-9-8-28(20(30)16-3-5-18(32-2)6-4-16)13-19-12-27(7-10-34-19)11-17(29)14-33-15-22(25,26)21(23)24/h3-6,17,19,21,29H,7-15H2,1-2H3
InChIKeyRKVAJMYLPLOLGU-UHFFFAOYSA-N
MW496.50 g/mol
LogP1.76
Rot. Bonds14

About N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide

N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 46060170) has the molecular formula C22H32F4N2O6 and a molecular weight of 496.50 g/mol. Its IUPAC name is N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
PubChem CID46060170
Molecular FormulaC22H32F4N2O6
Molecular Weight496.50 g/mol
Exact Mass496.22
IUPAC NameN-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC1CN(CC(O)COCC(F)(F)C(F)F)CCO1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H32F4N2O6/c1-31-9-8-28(20(30)16-3-5-18(32-2)6-4-16)13-19-12-27(7-10-34-19)11-17(29)14-33-15-22(25,26)21(23)24/h3-6,17,19,21,29H,7-15H2,1-2H3
InChIKeyRKVAJMYLPLOLGU-UHFFFAOYSA-N
XLogP1.76
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.50
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide (CID 46060170) is N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide is COCCN(CC1CN(CC(O)COCC(F)(F)C(F)F)CCO1)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is RKVAJMYLPLOLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F4N2O6/c1-31-9-8-28(20(30)16-3-5-18(32-2)6-4-16)13-19-12-27(7-10-34-19)11-17(29)14-33-15-22(25,26)21(23)24/h3-6,17,19,21,29H,7-15H2,1-2H3.
What are the key properties of N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 496.50 g/mol, XLogP of 1.76, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 46060170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).