tert-butyl 3-nonanoylmorpholine-4-carboxylate

C18H33NO4 — CID 103554093

IUPACtert-butyl 3-nonanoylmorpholine-4-carboxylate
SMILESCCCCCCCCC(=O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO4/c1-5-6-7-8-9-10-11-16(20)15-14-22-13-12-19(15)17(21)23-18(2,3)4/h15H,5-14H2,1-4H3
InChIKeyLNEUCWFHEUJIJQ-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.94
Rot. Bonds8

About tert-butyl 3-nonanoylmorpholine-4-carboxylate

tert-butyl 3-nonanoylmorpholine-4-carboxylate (PubChem CID 103554093) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is tert-butyl 3-nonanoylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-nonanoylmorpholine-4-carboxylate
PubChem CID103554093
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Nametert-butyl 3-nonanoylmorpholine-4-carboxylate
SMILESCCCCCCCCC(=O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO4/c1-5-6-7-8-9-10-11-16(20)15-14-22-13-12-19(15)17(21)23-18(2,3)4/h15H,5-14H2,1-4H3
InChIKeyLNEUCWFHEUJIJQ-UHFFFAOYSA-N
XLogP3.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate
CID 103553978
tert-butyl 3-(1-hydroxyheptyl)morpholine-4-carboxylate
CID 103554147
tert-butyl 3-(2-cyanoacetyl)morpholine-4-carboxylate
CID 76668092
tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
CID 103553976
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate
CID 103554111
(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-3-carboxylic acid
CID 126623302
tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
CID 22309118
tert-butyl (2S)-2-butanoylpiperidine-1-carboxylate
CID 165464367
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate
CID 178201481
tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate
CID 103554079

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-nonanoylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-nonanoylmorpholine-4-carboxylate (CID 103554093) is tert-butyl 3-nonanoylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-nonanoylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-nonanoylmorpholine-4-carboxylate is CCCCCCCCC(=O)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-nonanoylmorpholine-4-carboxylate?
The InChIKey is LNEUCWFHEUJIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4/c1-5-6-7-8-9-10-11-16(20)15-14-22-13-12-19(15)17(21)23-18(2,3)4/h15H,5-14H2,1-4H3.
What are the key properties of tert-butyl 3-nonanoylmorpholine-4-carboxylate?
tert-butyl 3-nonanoylmorpholine-4-carboxylate has a molecular weight of 327.47 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-nonanoylmorpholine-4-carboxylate is sourced from PubChem (CID 103554093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).