N-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide

C16H28F2N2O3 — CID 58176317

IUPACN-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide
SMILESCCCC(=O)[C@H](CC(F)(F)CC(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C16H28F2N2O3/c1-4-5-14(21)13(11-16(17,18)10-12(2)3)19-15(22)20-6-8-23-9-7-20/h12-13H,4-11H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyMDJCLSQUIITSRB-ZDUSSCGKSA-N
MW334.41 g/mol
LogP2.84
Rot. Bonds8

About N-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide

N-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide (PubChem CID 58176317) has the molecular formula C16H28F2N2O3 and a molecular weight of 334.41 g/mol. Its IUPAC name is N-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide
PubChem CID58176317
Molecular FormulaC16H28F2N2O3
Molecular Weight334.41 g/mol
Exact Mass334.21
IUPAC NameN-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide
SMILESCCCC(=O)[C@H](CC(F)(F)CC(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C16H28F2N2O3/c1-4-5-14(21)13(11-16(17,18)10-12(2)3)19-15(22)20-6-8-23-9-7-20/h12-13H,4-11H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyMDJCLSQUIITSRB-ZDUSSCGKSA-N
XLogP2.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate
CID 68821113
N-[(2S)-1-[cyano(methyl)amino]-4,4-difluoro-1-oxoheptan-2-yl]-1,4-oxazepane-4-carboxamide
CID 91075977
4,4-difluoro-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 76558764
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
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62968340
(2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 107566897
4-methyl-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62969212
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
2-(1,4-oxazepane-4-carbonylamino)hexanoic acid
CID 62967980
methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
CID 69416705
N-[(2R)-octan-2-yl]morpholine-4-carboxamide
CID 7815302

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide (CID 58176317) is N-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide is CCCC(=O)[C@H](CC(F)(F)CC(C)C)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide?
The InChIKey is MDJCLSQUIITSRB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H28F2N2O3/c1-4-5-14(21)13(11-16(17,18)10-12(2)3)19-15(22)20-6-8-23-9-7-20/h12-13H,4-11H2,1-3H3,(H,19,22)/t13-/m0/s1.
What are the key properties of N-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide?
N-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide is sourced from PubChem (CID 58176317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).