1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate

C19H27N3O3 — CID 90902219

IUPAC1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate
SMILESCC(C)(C)c1ccc(CNC(=O)OC2=CC3(CCNCC3)ON2)cc1
InChIInChI=1S/C19H27N3O3/c1-18(2,3)15-6-4-14(5-7-15)13-21-17(23)24-16-12-19(25-22-16)8-10-20-11-9-19/h4-7,12,20,22H,8-11,13H2,1-3H3,(H,21,23)
InChIKeyQLFPHHLLHYBMOP-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.71
Rot. Bonds3

About 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate

1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate (PubChem CID 90902219) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate.

Molecular Properties

Compound Name1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate
PubChem CID90902219
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate
SMILESCC(C)(C)c1ccc(CNC(=O)OC2=CC3(CCNCC3)ON2)cc1
InChIInChI=1S/C19H27N3O3/c1-18(2,3)15-6-4-14(5-7-15)13-21-17(23)24-16-12-19(25-22-16)8-10-20-11-9-19/h4-7,12,20,22H,8-11,13H2,1-3H3,(H,21,23)
InChIKeyQLFPHHLLHYBMOP-UHFFFAOYSA-N
XLogP2.71
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate?
The IUPAC name of 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate (CID 90902219) is 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate.
What is the SMILES notation for 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate?
The canonical SMILES for 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate is CC(C)(C)c1ccc(CNC(=O)OC2=CC3(CCNCC3)ON2)cc1.
What is the InChIKey of 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate?
The InChIKey is QLFPHHLLHYBMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-18(2,3)15-6-4-14(5-7-15)13-21-17(23)24-16-12-19(25-22-16)8-10-20-11-9-19/h4-7,12,20,22H,8-11,13H2,1-3H3,(H,21,23).
What are the key properties of 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate?
1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate has a molecular weight of 345.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate is sourced from PubChem (CID 90902219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).