tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate

C14H29NO4 — CID 123711756

IUPACtert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(O)COCC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO4/c1-12(2,3)19-11(16)15-8-13(4,5)9-18-10-14(6,7)17/h17H,8-10H2,1-7H3,(H,15,16)
InChIKeySSLPSWIIIPGFFE-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.32
Rot. Bonds6

About tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate

tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate (PubChem CID 123711756) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate
PubChem CID123711756
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Nametert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(O)COCC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO4/c1-12(2,3)19-11(16)15-8-13(4,5)9-18-10-14(6,7)17/h17H,8-10H2,1-7H3,(H,15,16)
InChIKeySSLPSWIIIPGFFE-UHFFFAOYSA-N
XLogP2.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(3-bromo-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate
CID 147498058
tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate
CID 166914726
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
CID 65142819
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate
CID 139538581
tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate
CID 166127236
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-[2-methyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]disulfanyl]propyl]carbamate
CID 140880756
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
CID 2165580

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate (CID 123711756) is tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate is CC(C)(O)COCC(C)(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate?
The InChIKey is SSLPSWIIIPGFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-12(2,3)19-11(16)15-8-13(4,5)9-18-10-14(6,7)17/h17H,8-10H2,1-7H3,(H,15,16).
What are the key properties of tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate?
tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate has a molecular weight of 275.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 123711756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).