(5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

C21H25N3O4 — CID 97455348

About (5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

(5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 97455348) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is (5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

• Compound Name: (5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• PubChem CID: 97455348
• Molecular Formula: C21H25N3O4
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.18
• IUPAC Name: (5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• SMILES: CN1CCC[C@@]2(CCN(C(=O)Nc3ccc(OCc4ccco4)cc3)C2)C1=O
• InChI: InChI=1S/C21H25N3O4/c1-23-11-3-9-21(19(23)25)10-12-24(15-21)20(26)22-16-5-7-17(8-6-16)28-14-18-4-2-13-27-18/h2,4-8,13H,3,9-12,14-15H2,1H3,(H,22,26)/t21-/m0/s1
• InChIKey: IUSJAFWDXHQYHX-NRFANRHFSA-N
• XLogP: 3.33
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?

The IUPAC name of (5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (CID 97455348) is (5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.

What is the SMILES notation for (5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?

The canonical SMILES for (5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is CN1CCC[C@@]2(CCN(C(=O)Nc3ccc(OCc4ccco4)cc3)C2)C1=O.

What is the InChIKey of (5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?

The InChIKey is IUSJAFWDXHQYHX-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-23-11-3-9-21(19(23)25)10-12-24(15-21)20(26)22-16-5-7-17(8-6-16)28-14-18-4-2-13-27-18/h2,4-8,13H,3,9-12,14-15H2,1H3,(H,22,26)/t21-/m0/s1.

What are the key properties of (5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?

(5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 97455348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).