N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide

C21H25FN2O4 — CID 30834808

IUPACN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C21H25FN2O4/c1-26-18-6-8-19(9-7-18)28-15-21(25)23-14-20(24-10-12-27-13-11-24)16-2-4-17(22)5-3-16/h2-9,20H,10-15H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyHVUSFAKQAWBBJM-FQEVSTJZSA-N
MW388.44 g/mol
LogP2.40
Rot. Bonds8

About N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 30834808) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID30834808
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C21H25FN2O4/c1-26-18-6-8-19(9-7-18)28-15-21(25)23-14-20(24-10-12-27-13-11-24)16-2-4-17(22)5-3-16/h2-9,20H,10-15H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyHVUSFAKQAWBBJM-FQEVSTJZSA-N
XLogP2.40
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide (CID 30834808) is N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is HVUSFAKQAWBBJM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-26-18-6-8-19(9-7-18)28-15-21(25)23-14-20(24-10-12-27-13-11-24)16-2-4-17(22)5-3-16/h2-9,20H,10-15H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide?
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 388.44 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 30834808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).