tert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate

C12H25NO3 — CID 10353841

IUPACtert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCO)C(C)(C)C
InChIInChI=1S/C12H25NO3/c1-11(2,3)13(8-7-9-14)10(15)16-12(4,5)6/h14H,7-9H2,1-6H3
InChIKeyRDVTWENYSHFUSO-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.40
Rot. Bonds3

About tert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate

tert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate (PubChem CID 10353841) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate
PubChem CID10353841
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCO)C(C)(C)C
InChIInChI=1S/C12H25NO3/c1-11(2,3)13(8-7-9-14)10(15)16-12(4,5)6/h14H,7-9H2,1-6H3
InChIKeyRDVTWENYSHFUSO-UHFFFAOYSA-N
XLogP2.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate (CID 10353841) is tert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate is CC(C)(C)OC(=O)N(CCCO)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate?
The InChIKey is RDVTWENYSHFUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11(2,3)13(8-7-9-14)10(15)16-12(4,5)6/h14H,7-9H2,1-6H3.
What are the key properties of tert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate?
tert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate has a molecular weight of 231.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 10353841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).