tert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate

C20H29NO4 — CID 66633823

IUPACtert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C20H29NO4/c1-19(2,3)25-18(22)21-14-15-4-6-16(7-5-15)17-8-10-20(11-9-17)23-12-13-24-20/h4-7,17H,8-14H2,1-3H3,(H,21,22)
InChIKeyYDQLTWYJSRLLDM-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.11
Rot. Bonds3

About tert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate

tert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate (PubChem CID 66633823) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is tert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate
PubChem CID66633823
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Nametert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C20H29NO4/c1-19(2,3)25-18(22)21-14-15-4-6-16(7-5-15)17-8-10-20(11-9-17)23-12-13-24-20/h4-7,17H,8-14H2,1-3H3,(H,21,22)
InChIKeyYDQLTWYJSRLLDM-UHFFFAOYSA-N
XLogP4.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate (CID 66633823) is tert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of tert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate?
The InChIKey is YDQLTWYJSRLLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-19(2,3)25-18(22)21-14-15-4-6-16(7-5-15)17-8-10-20(11-9-17)23-12-13-24-20/h4-7,17H,8-14H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate has a molecular weight of 347.46 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 66633823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).