N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide

C18H27FN2O2 — CID 56719606

IUPACN-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC1CN(Cc2ccccc2F)CCO1
InChIInChI=1S/C18H27FN2O2/c1-18(2,3)17(22)20-9-8-15-13-21(10-11-23-15)12-14-6-4-5-7-16(14)19/h4-7,15H,8-13H2,1-3H3,(H,20,22)
InChIKeyJKNWNZGWPBYXID-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.58
Rot. Bonds5

About N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 56719606) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID56719606
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC NameN-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC1CN(Cc2ccccc2F)CCO1
InChIInChI=1S/C18H27FN2O2/c1-18(2,3)17(22)20-9-8-15-13-21(10-11-23-15)12-14-6-4-5-7-16(14)19/h4-7,15H,8-13H2,1-3H3,(H,20,22)
InChIKeyJKNWNZGWPBYXID-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide (CID 56719606) is N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC1CN(Cc2ccccc2F)CCO1.
What is the InChIKey of N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is JKNWNZGWPBYXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-18(2,3)17(22)20-9-8-15-13-21(10-11-23-15)12-14-6-4-5-7-16(14)19/h4-7,15H,8-13H2,1-3H3,(H,20,22).
What are the key properties of N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 322.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-fluorophenyl)methyl]morpholin-2-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 56719606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).