methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate

C14H24F2N2O4 — CID 68821113

IUPACmethyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate
SMILESCOC(=O)C(CC(F)(F)CC(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C14H24F2N2O4/c1-10(2)8-14(15,16)9-11(12(19)21-3)17-13(20)18-4-6-22-7-5-18/h10-11H,4-9H2,1-3H3,(H,17,20)
InChIKeyFQFZJDRTBCEUMW-UHFFFAOYSA-N
MW322.35 g/mol
LogP1.64
Rot. Bonds6

About methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate

methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate (PubChem CID 68821113) has the molecular formula C14H24F2N2O4 and a molecular weight of 322.35 g/mol. Its IUPAC name is methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate.

Molecular Properties

Compound Namemethyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate
PubChem CID68821113
Molecular FormulaC14H24F2N2O4
Molecular Weight322.35 g/mol
Exact Mass322.17
IUPAC Namemethyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate
SMILESCOC(=O)C(CC(F)(F)CC(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C14H24F2N2O4/c1-10(2)8-14(15,16)9-11(12(19)21-3)17-13(20)18-4-6-22-7-5-18/h10-11H,4-9H2,1-3H3,(H,17,20)
InChIKeyFQFZJDRTBCEUMW-UHFFFAOYSA-N
XLogP1.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate with MolForge

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Launch Full Analysis

Related Compounds

N-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide
CID 58176317
methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
CID 69416705
methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate
CID 3285258
methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate
CID 940643
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
N-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide
CID 11477276
3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid
CID 81077004
4,4-difluoro-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 76558764
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate
CID 54940231
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
CID 80979649

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate?
The IUPAC name of methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate (CID 68821113) is methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate.
What is the SMILES notation for methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate?
The canonical SMILES for methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate is COC(=O)C(CC(F)(F)CC(C)C)NC(=O)N1CCOCC1.
What is the InChIKey of methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate?
The InChIKey is FQFZJDRTBCEUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O4/c1-10(2)8-14(15,16)9-11(12(19)21-3)17-13(20)18-4-6-22-7-5-18/h10-11H,4-9H2,1-3H3,(H,17,20).
What are the key properties of methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate?
methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate has a molecular weight of 322.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate is sourced from PubChem (CID 68821113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).