N-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C17H29N3O2 — CID 75426499

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCC(C)N1C2CCC1CN(C(=O)NC1CC3CCC1O3)CC2
InChIInChI=1S/C17H29N3O2/c1-11(2)20-12-3-4-13(20)10-19(8-7-12)17(21)18-15-9-14-5-6-16(15)22-14/h11-16H,3-10H2,1-2H3,(H,18,21)
InChIKeyFUPVFOYMTOTBIE-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.96
Rot. Bonds2

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 75426499) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID75426499
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCC(C)N1C2CCC1CN(C(=O)NC1CC3CCC1O3)CC2
InChIInChI=1S/C17H29N3O2/c1-11(2)20-12-3-4-13(20)10-19(8-7-12)17(21)18-15-9-14-5-6-16(15)22-14/h11-16H,3-10H2,1-2H3,(H,18,21)
InChIKeyFUPVFOYMTOTBIE-UHFFFAOYSA-N
XLogP1.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 75426499) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CC(C)N1C2CCC1CN(C(=O)NC1CC3CCC1O3)CC2.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is FUPVFOYMTOTBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-11(2)20-12-3-4-13(20)10-19(8-7-12)17(21)18-15-9-14-5-6-16(15)22-14/h11-16H,3-10H2,1-2H3,(H,18,21).
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 75426499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).