tert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate

C12H25NO3 — CID 141434701

IUPACtert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate
SMILESCOCC(C)(C)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-11(2,3)16-10(14)13(6)8-12(4,5)9-15-7/h8-9H2,1-7H3
InChIKeyMDLSEAXPICLHFH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.53
Rot. Bonds4

About tert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate

tert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate (PubChem CID 141434701) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate
PubChem CID141434701
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate
SMILESCOCC(C)(C)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-11(2,3)16-10(14)13(6)8-12(4,5)9-15-7/h8-9H2,1-7H3
InChIKeyMDLSEAXPICLHFH-UHFFFAOYSA-N
XLogP2.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate (CID 141434701) is tert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate is COCC(C)(C)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate?
The InChIKey is MDLSEAXPICLHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11(2,3)16-10(14)13(6)8-12(4,5)9-15-7/h8-9H2,1-7H3.
What are the key properties of tert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate?
tert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate has a molecular weight of 231.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methoxy-2,2-dimethylpropyl)-N-methylcarbamate is sourced from PubChem (CID 141434701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).