2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide

C22H26F2N2O3 — CID 86950916

IUPAC2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide
SMILESCC(CCN1CCOCC1)NC(=O)C(Oc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C22H26F2N2O3/c1-16(9-10-26-11-13-28-14-12-26)25-22(27)21(17-5-3-2-4-6-17)29-18-7-8-19(23)20(24)15-18/h2-8,15-16,21H,9-14H2,1H3,(H,25,27)
InChIKeyDRSMRTLKDFWHER-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.31
Rot. Bonds8

About 2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide

2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide (PubChem CID 86950916) has the molecular formula C22H26F2N2O3 and a molecular weight of 404.46 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide
PubChem CID86950916
Molecular FormulaC22H26F2N2O3
Molecular Weight404.46 g/mol
Exact Mass404.19
IUPAC Name2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide
SMILESCC(CCN1CCOCC1)NC(=O)C(Oc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C22H26F2N2O3/c1-16(9-10-26-11-13-28-14-12-26)25-22(27)21(17-5-3-2-4-6-17)29-18-7-8-19(23)20(24)15-18/h2-8,15-16,21H,9-14H2,1H3,(H,25,27)
InChIKeyDRSMRTLKDFWHER-UHFFFAOYSA-N
XLogP3.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide with MolForge

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Related Compounds

1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea
CID 97436919
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenoxy-2-phenylacetamide
CID 47776428
2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119544183
2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 10111369
(2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 94815844
2-amino-N-(1-morpholin-4-ylpropan-2-yl)-2-phenylacetamide;dihydrochloride
CID 119851564
N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-morpholin-4-ylpropanamide
CID 91764597
4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
CID 3074452
3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140730
N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide
CID 86897436
3-methyl-N-[(1R)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140732

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide?
The IUPAC name of 2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide (CID 86950916) is 2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide?
The canonical SMILES for 2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide is CC(CCN1CCOCC1)NC(=O)C(Oc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide?
The InChIKey is DRSMRTLKDFWHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O3/c1-16(9-10-26-11-13-28-14-12-26)25-22(27)21(17-5-3-2-4-6-17)29-18-7-8-19(23)20(24)15-18/h2-8,15-16,21H,9-14H2,1H3,(H,25,27).
What are the key properties of 2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide?
2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide has a molecular weight of 404.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide is sourced from PubChem (CID 86950916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).