2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C18H28N2O2 — CID 123438532

IUPAC2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC1CC2CC(CCC(=O)N3C(C(N)=O)CC4CC43)C(C1)C2
InChIInChI=1S/C18H28N2O2/c1-10-4-11-6-12(13(5-10)7-11)2-3-17(21)20-15-8-14(15)9-16(20)18(19)22/h10-16H,2-9H2,1H3,(H2,19,22)
InChIKeyGPOKLKJWRLNEIT-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.31
Rot. Bonds4

About 2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 123438532) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID123438532
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC1CC2CC(CCC(=O)N3C(C(N)=O)CC4CC43)C(C1)C2
InChIInChI=1S/C18H28N2O2/c1-10-4-11-6-12(13(5-10)7-11)2-3-17(21)20-15-8-14(15)9-16(20)18(19)22/h10-16H,2-9H2,1H3,(H2,19,22)
InChIKeyGPOKLKJWRLNEIT-UHFFFAOYSA-N
XLogP2.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 123438532) is 2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC1CC2CC(CCC(=O)N3C(C(N)=O)CC4CC43)C(C1)C2.
What is the InChIKey of 2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is GPOKLKJWRLNEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-10-4-11-6-12(13(5-10)7-11)2-3-17(21)20-15-8-14(15)9-16(20)18(19)22/h10-16H,2-9H2,1H3,(H2,19,22).
What are the key properties of 2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyl-6-bicyclo[3.2.1]octanyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 123438532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).