N-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide

C17H31N3O2 — CID 176790147

IUPACN-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide
SMILESCC(C)N(C)C(=O)N1CCC2(CC1)CN(C(C)C)C1(CC1)O2
InChIInChI=1S/C17H31N3O2/c1-13(2)18(5)15(21)19-10-8-16(9-11-19)12-20(14(3)4)17(22-16)6-7-17/h13-14H,6-12H2,1-5H3
InChIKeyLBXACWTVVICYAU-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.51
Rot. Bonds2

About N-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide

N-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide (PubChem CID 176790147) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide.

Molecular Properties

Compound NameN-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide
PubChem CID176790147
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide
SMILESCC(C)N(C)C(=O)N1CCC2(CC1)CN(C(C)C)C1(CC1)O2
InChIInChI=1S/C17H31N3O2/c1-13(2)18(5)15(21)19-10-8-16(9-11-19)12-20(14(3)4)17(22-16)6-7-17/h13-14H,6-12H2,1-5H3
InChIKeyLBXACWTVVICYAU-UHFFFAOYSA-N
XLogP2.51
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide?
The IUPAC name of N-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide (CID 176790147) is N-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide.
What is the SMILES notation for N-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide?
The canonical SMILES for N-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide is CC(C)N(C)C(=O)N1CCC2(CC1)CN(C(C)C)C1(CC1)O2.
What is the InChIKey of N-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide?
The InChIKey is LBXACWTVVICYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-13(2)18(5)15(21)19-10-8-16(9-11-19)12-20(14(3)4)17(22-16)6-7-17/h13-14H,6-12H2,1-5H3.
What are the key properties of N-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide?
N-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,12-di(propan-2-yl)-4-oxa-8,12-diazadispiro[2.1.55.23]dodecane-8-carboxamide is sourced from PubChem (CID 176790147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).