N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide

C18H27FN2O2 — CID 60507641

IUPACN-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CCO1
InChIInChI=1S/C18H27FN2O2/c1-14-11-20(8-9-23-14)13-17(22)21(18(2,3)4)12-15-6-5-7-16(19)10-15/h5-7,10,14H,8-9,11-13H2,1-4H3
InChIKeyIWDVQCIQVJMCEE-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.67
Rot. Bonds4

About N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide

N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide (PubChem CID 60507641) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide
PubChem CID60507641
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC NameN-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CCO1
InChIInChI=1S/C18H27FN2O2/c1-14-11-20(8-9-23-14)13-17(22)21(18(2,3)4)12-15-6-5-7-16(19)10-15/h5-7,10,14H,8-9,11-13H2,1-4H3
InChIKeyIWDVQCIQVJMCEE-UHFFFAOYSA-N
XLogP2.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 71925965
N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 97070769
N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide
CID 78900758
N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylmorpholin-4-yl)acetamide
CID 134055268
N-tert-butyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 60508995
N-tert-butyl-2-ethylsulfonyl-N-[(3-fluorophenyl)methyl]acetamide
CID 71916976
1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone
CID 43794572
N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95610060
N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 56802736
2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537
2-[[2-[tert-butyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]propanoic acid
CID 119913499
(E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide
CID 47900188

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide?
The IUPAC name of N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide (CID 60507641) is N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide?
The canonical SMILES for N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide is CC1CN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CCO1.
What is the InChIKey of N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide?
The InChIKey is IWDVQCIQVJMCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-14-11-20(8-9-23-14)13-17(22)21(18(2,3)4)12-15-6-5-7-16(19)10-15/h5-7,10,14H,8-9,11-13H2,1-4H3.
What are the key properties of N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide?
N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide has a molecular weight of 322.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide is sourced from PubChem (CID 60507641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).