N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

C16H31N3O2 — CID 158454849

IUPACN-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)N1CCOC2(CCN(C(=O)N(C)C(C)C)CC2)C1
InChIInChI=1S/C16H31N3O2/c1-13(2)17(5)15(20)18-8-6-16(7-9-18)12-19(14(3)4)10-11-21-16/h13-14H,6-12H2,1-5H3
InChIKeyFIQHMCAXBWQQFC-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.02
Rot. Bonds2

About N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 158454849) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID158454849
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)N1CCOC2(CCN(C(=O)N(C)C(C)C)CC2)C1
InChIInChI=1S/C16H31N3O2/c1-13(2)17(5)15(20)18-8-6-16(7-9-18)12-19(14(3)4)10-11-21-16/h13-14H,6-12H2,1-5H3
InChIKeyFIQHMCAXBWQQFC-UHFFFAOYSA-N
XLogP2.02
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (CID 158454849) is N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is CC(C)N1CCOC2(CCN(C(=O)N(C)C(C)C)CC2)C1.
What is the InChIKey of N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is FIQHMCAXBWQQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13(2)17(5)15(20)18-8-6-16(7-9-18)12-19(14(3)4)10-11-21-16/h13-14H,6-12H2,1-5H3.
What are the key properties of N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 158454849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).