tert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate

C18H34N2O5 — CID 141155010

IUPACtert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate
SMILESCC(C)C(CCCN(O)C(=O)OC(C)(C)C)C(=O)NC1CCOCC1
InChIInChI=1S/C18H34N2O5/c1-13(2)15(16(21)19-14-8-11-24-12-9-14)7-6-10-20(23)17(22)25-18(3,4)5/h13-15,23H,6-12H2,1-5H3,(H,19,21)
InChIKeyFFLPMGLWLDFKRI-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.96
Rot. Bonds7

About tert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate

tert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate (PubChem CID 141155010) has the molecular formula C18H34N2O5 and a molecular weight of 358.48 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate
PubChem CID141155010
Molecular FormulaC18H34N2O5
Molecular Weight358.48 g/mol
Exact Mass358.25
IUPAC Nametert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate
SMILESCC(C)C(CCCN(O)C(=O)OC(C)(C)C)C(=O)NC1CCOCC1
InChIInChI=1S/C18H34N2O5/c1-13(2)15(16(21)19-14-8-11-24-12-9-14)7-6-10-20(23)17(22)25-18(3,4)5/h13-15,23H,6-12H2,1-5H3,(H,19,21)
InChIKeyFFLPMGLWLDFKRI-UHFFFAOYSA-N
XLogP2.96
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide
CID 115187200
tert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate
CID 154690472
(2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide
CID 97329335
tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
CID 103846759
tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate
CID 86028321
tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate
CID 50986378
tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate
CID 103894802
(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 61154415
2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid
CID 82821366
6-amino-2-methyl-N-(oxan-4-yl)heptanamide
CID 65290448
tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate
CID 107441396
2-methyl-3-(methylamino)-N-(oxan-4-yl)propanamide
CID 79195500

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate (CID 141155010) is tert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate is CC(C)C(CCCN(O)C(=O)OC(C)(C)C)C(=O)NC1CCOCC1.
What is the InChIKey of tert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate?
The InChIKey is FFLPMGLWLDFKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O5/c1-13(2)15(16(21)19-14-8-11-24-12-9-14)7-6-10-20(23)17(22)25-18(3,4)5/h13-15,23H,6-12H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate?
tert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate has a molecular weight of 358.48 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate is sourced from PubChem (CID 141155010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).