(2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide

C16H20F2N4O4 — CID 87869078

IUPAC(2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide
SMILESCN(CC(F)F)[C@H](C(N)=O)C(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C16H20F2N4O4/c1-21(8-12(17)18)14(15(19)24)16(25)20-10-2-4-11(5-3-10)22-6-7-26-9-13(22)23/h2-5,12,14H,6-9H2,1H3,(H2,19,24)(H,20,25)/t14-/m1/s1
InChIKeyXZMOJGLFEDIETJ-CQSZACIVSA-N
MW370.36 g/mol
LogP0.04
Rot. Bonds7

About (2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide

(2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide (PubChem CID 87869078) has the molecular formula C16H20F2N4O4 and a molecular weight of 370.36 g/mol. Its IUPAC name is (2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide.

Molecular Properties

Compound Name(2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide
PubChem CID87869078
Molecular FormulaC16H20F2N4O4
Molecular Weight370.36 g/mol
Exact Mass370.15
IUPAC Name(2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide
SMILESCN(CC(F)F)[C@H](C(N)=O)C(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C16H20F2N4O4/c1-21(8-12(17)18)14(15(19)24)16(25)20-10-2-4-11(5-3-10)22-6-7-26-9-13(22)23/h2-5,12,14H,6-9H2,1H3,(H2,19,24)(H,20,25)/t14-/m1/s1
InChIKeyXZMOJGLFEDIETJ-CQSZACIVSA-N
XLogP0.04
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87869026
5-chloro-N-[(2R)-2-[2,2-difluoroethyl(methyl)amino]-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90948345
(2R)-3-amino-2-[cyclobutyl(2,2-difluoroethyl)amino]-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87868795
(2S)-2-[bis(2,2-difluoroethyl)amino]-N'-[3-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87868846
2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 69060079
(2S)-2-[2,2-difluoroethyl(2,2-dimethylpropyl)amino]-N'-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87869030
(2S)-3-amino-2-[cyclobutylmethyl(2,2-difluoroethyl)amino]-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87868697
(2R)-2-[cyclopropyl(2,2-difluoroethyl)amino]-N'-[2-(difluoromethyl)-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87869027
(2S)-3-amino-2-[2,2-difluoroethyl(methyl)amino]-N-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87868575
(2S)-2-[cyclobutyl(2,2-difluoroethyl)amino]-N'-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]propanediamide
CID 87869023
(2S)-2-[cyclobutylmethyl(2,2-difluoroethyl)amino]-N'-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87869136
2-amino-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 69444352

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide?
The IUPAC name of (2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide (CID 87869078) is (2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide.
What is the SMILES notation for (2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide?
The canonical SMILES for (2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide is CN(CC(F)F)[C@H](C(N)=O)C(=O)Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of (2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide?
The InChIKey is XZMOJGLFEDIETJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20F2N4O4/c1-21(8-12(17)18)14(15(19)24)16(25)20-10-2-4-11(5-3-10)22-6-7-26-9-13(22)23/h2-5,12,14H,6-9H2,1H3,(H2,19,24)(H,20,25)/t14-/m1/s1.
What are the key properties of (2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide?
(2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide has a molecular weight of 370.36 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide is sourced from PubChem (CID 87869078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).