(1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide

C25H28N2O — CID 170511362

IUPAC(1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H]2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]21
InChIInChI=1S/C25H28N2O/c28-25(26-20-6-7-20)23-13-18-9-10-27(15-24(18)23)14-16-5-8-22-19(11-16)12-17-3-1-2-4-21(17)22/h1-5,8,11,18,20,23-24H,6-7,9-10,12-15H2,(H,26,28)/t18-,23-,24-/m1/s1
InChIKeyWFZFEGKHYOQTKP-DQMJNTIXSA-N
MW372.51 g/mol
LogP3.99
Rot. Bonds4

About (1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide

(1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide (PubChem CID 170511362) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is (1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide.

Molecular Properties

Compound Name(1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide
PubChem CID170511362
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name(1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H]2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]21
InChIInChI=1S/C25H28N2O/c28-25(26-20-6-7-20)23-13-18-9-10-27(15-24(18)23)14-16-5-8-22-19(11-16)12-17-3-1-2-4-21(17)22/h1-5,8,11,18,20,23-24H,6-7,9-10,12-15H2,(H,26,28)/t18-,23-,24-/m1/s1
InChIKeyWFZFEGKHYOQTKP-DQMJNTIXSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide?
The IUPAC name of (1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide (CID 170511362) is (1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide.
What is the SMILES notation for (1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide?
The canonical SMILES for (1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide is O=C(NC1CC1)[C@@H]1C[C@H]2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]21.
What is the InChIKey of (1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide?
The InChIKey is WFZFEGKHYOQTKP-DQMJNTIXSA-N. The full InChI is InChI=1S/C25H28N2O/c28-25(26-20-6-7-20)23-13-18-9-10-27(15-24(18)23)14-16-5-8-22-19(11-16)12-17-3-1-2-4-21(17)22/h1-5,8,11,18,20,23-24H,6-7,9-10,12-15H2,(H,26,28)/t18-,23-,24-/m1/s1.
What are the key properties of (1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide?
(1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide is sourced from PubChem (CID 170511362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).