(2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide

C16H20F2N2O4 — CID 94815844

IUPAC(2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
SMILESC[C@H](Oc1ccc(F)c(F)c1)C(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C16H20F2N2O4/c1-11(24-12-2-3-13(17)14(18)10-12)16(22)19-5-4-15(21)20-6-8-23-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,19,22)/t11-/m0/s1
InChIKeyRKWWPNBRPIPNOL-NSHDSACASA-N
MW342.34 g/mol
LogP1.10
Rot. Bonds6

About (2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide

(2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide (PubChem CID 94815844) has the molecular formula C16H20F2N2O4 and a molecular weight of 342.34 g/mol. Its IUPAC name is (2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
PubChem CID94815844
Molecular FormulaC16H20F2N2O4
Molecular Weight342.34 g/mol
Exact Mass342.14
IUPAC Name(2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
SMILESC[C@H](Oc1ccc(F)c(F)c1)C(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C16H20F2N2O4/c1-11(24-12-2-3-13(17)14(18)10-12)16(22)19-5-4-15(21)20-6-8-23-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,19,22)/t11-/m0/s1
InChIKeyRKWWPNBRPIPNOL-NSHDSACASA-N
XLogP1.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 42951632
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445694
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51159478
2-(3,4-difluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430409
2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 107720138
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-difluorophenoxy)propanamide
CID 86944832
2-(3,4-difluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120812855
2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51163883
3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713460
2-[2-(3,4-difluorophenoxy)propanoylamino]propanoic acid
CID 119225124

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide?
The IUPAC name of (2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide (CID 94815844) is (2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide.
What is the SMILES notation for (2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide?
The canonical SMILES for (2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide is C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCCC(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide?
The InChIKey is RKWWPNBRPIPNOL-NSHDSACASA-N. The full InChI is InChI=1S/C16H20F2N2O4/c1-11(24-12-2-3-13(17)14(18)10-12)16(22)19-5-4-15(21)20-6-8-23-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,19,22)/t11-/m0/s1.
What are the key properties of (2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide?
(2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide has a molecular weight of 342.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide is sourced from PubChem (CID 94815844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).