(1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C21H28N2O2 — CID 56914354

IUPAC(1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1[C@H]2CN(Cc3ccoc3)C[C@@H]12
InChIInChI=1S/C21H28N2O2/c24-20(22-21-6-14-3-15(7-21)5-16(4-14)8-21)19-17-10-23(11-18(17)19)9-13-1-2-25-12-13/h1-2,12,14-19H,3-11H2,(H,22,24)/t14?,15?,16?,17-,18+,19?,21?
InChIKeyAQPJPKXRZMKLHG-UKRRCNANSA-N
MW340.47 g/mol
LogP3.04
Rot. Bonds4

About (1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 56914354) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID56914354
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1[C@H]2CN(Cc3ccoc3)C[C@@H]12
InChIInChI=1S/C21H28N2O2/c24-20(22-21-6-14-3-15(7-21)5-16(4-14)8-21)19-17-10-23(11-18(17)19)9-13-1-2-25-12-13/h1-2,12,14-19H,3-11H2,(H,22,24)/t14?,15?,16?,17-,18+,19?,21?
InChIKeyAQPJPKXRZMKLHG-UKRRCNANSA-N
XLogP3.04
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 56914354) is (1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C1[C@H]2CN(Cc3ccoc3)C[C@@H]12.
What is the InChIKey of (1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is AQPJPKXRZMKLHG-UKRRCNANSA-N. The full InChI is InChI=1S/C21H28N2O2/c24-20(22-21-6-14-3-15(7-21)5-16(4-14)8-21)19-17-10-23(11-18(17)19)9-13-1-2-25-12-13/h1-2,12,14-19H,3-11H2,(H,22,24)/t14?,15?,16?,17-,18+,19?,21?.
What are the key properties of (1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-(1-adamantyl)-3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 56914354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).