methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate

C8H17NO3 — CID 45123030

IUPACmethyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate
SMILESCOC(=O)NCCOC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-6-5-9-7(10)11-4/h5-6H2,1-4H3,(H,9,10)
InChIKeyVSJRUCPXELYDGN-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.16
Rot. Bonds3

About methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate

methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate (PubChem CID 45123030) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate
PubChem CID45123030
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate
SMILESCOC(=O)NCCOC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-6-5-9-7(10)11-4/h5-6H2,1-4H3,(H,9,10)
InChIKeyVSJRUCPXELYDGN-UHFFFAOYSA-N
XLogP1.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate?
The IUPAC name of methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate (CID 45123030) is methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate is COC(=O)NCCOC(C)(C)C.
What is the InChIKey of methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate?
The InChIKey is VSJRUCPXELYDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,3)12-6-5-9-7(10)11-4/h5-6H2,1-4H3,(H,9,10).
What are the key properties of methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate?
methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate has a molecular weight of 175.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate is sourced from PubChem (CID 45123030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).