[2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate

C14H27NO5 — CID 170985950

IUPAC[2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate
SMILESCC(=O)OCC(O)CCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO5/c1-11(16)19-10-12(17)8-6-7-9-15(5)13(18)20-14(2,3)4/h12,17H,6-10H2,1-5H3
InChIKeyFIQFJSFSGKMIIP-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.95
Rot. Bonds7

About [2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate

[2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate (PubChem CID 170985950) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is [2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate.

Molecular Properties

Compound Name[2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate
PubChem CID170985950
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name[2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate
SMILESCC(=O)OCC(O)CCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO5/c1-11(16)19-10-12(17)8-6-7-9-15(5)13(18)20-14(2,3)4/h12,17H,6-10H2,1-5H3
InChIKeyFIQFJSFSGKMIIP-UHFFFAOYSA-N
XLogP1.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylsulfonyloxypentyl] acetate
CID 170985901
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
CID 19757668
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
tert-butyl N-(3-hydroxy-5-methylhexyl)-N-methylcarbamate
CID 91303071
2-hydroxytridecyl acetate
CID 170716401
(2S)-2-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 87572620
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
CID 155943485
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
(5-acetyloxy-4-hydroxypentyl) acetate
CID 74929582
tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate?
The IUPAC name of [2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate (CID 170985950) is [2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate.
What is the SMILES notation for [2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate?
The canonical SMILES for [2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate is CC(=O)OCC(O)CCCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of [2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate?
The InChIKey is FIQFJSFSGKMIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-11(16)19-10-12(17)8-6-7-9-15(5)13(18)20-14(2,3)4/h12,17H,6-10H2,1-5H3.
What are the key properties of [2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate?
[2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate has a molecular weight of 289.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate is sourced from PubChem (CID 170985950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).