tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate

C10H21NO4 — CID 87889000

IUPACtert-butyl N-[4-(hydroxymethoxy)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCOCO
InChIInChI=1S/C10H21NO4/c1-10(2,3)15-9(13)11-6-4-5-7-14-8-12/h12H,4-8H2,1-3H3,(H,11,13)
InChIKeyDLTALGGQGQQBPG-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.26
Rot. Bonds6

About tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate

tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate (PubChem CID 87889000) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(hydroxymethoxy)butyl]carbamate
PubChem CID87889000
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nametert-butyl N-[4-(hydroxymethoxy)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCOCO
InChIInChI=1S/C10H21NO4/c1-10(2,3)15-9(13)11-6-4-5-7-14-8-12/h12H,4-8H2,1-3H3,(H,11,13)
InChIKeyDLTALGGQGQQBPG-UHFFFAOYSA-N
XLogP1.26
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
CID 58725633
tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate
CID 171066422
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
CID 170396360
tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
CID 161198588
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethyl]carbamate
CID 177120478
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[3-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111886369

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate (CID 87889000) is tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate is CC(C)(C)OC(=O)NCCCCOCO.
What is the InChIKey of tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate?
The InChIKey is DLTALGGQGQQBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-10(2,3)15-9(13)11-6-4-5-7-14-8-12/h12H,4-8H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate?
tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate has a molecular weight of 219.28 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate is sourced from PubChem (CID 87889000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).