(5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C18H26N4O3 — CID 97491622

About (5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491622) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: (5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 97491622
• Molecular Formula: C18H26N4O3
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.20
• IUPAC Name: (5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: O=C(NCc1ccco1)C1=NO[C@@]2(CCN(CCN3CCCC3)C2)C1
• InChI: InChI=1S/C18H26N4O3/c23-17(19-13-15-4-3-11-24-15)16-12-18(25-20-16)5-8-22(14-18)10-9-21-6-1-2-7-21/h3-4,11H,1-2,5-10,12-14H2,(H,19,23)/t18-/m0/s1
• InChIKey: MMAREJGFNDWQFH-SFHVURJKSA-N
• XLogP: 1.21
• TPSA: 70.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of (5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491622) is (5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for (5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for (5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NCc1ccco1)C1=NO[C@@]2(CCN(CCN3CCCC3)C2)C1.

What is the InChIKey of (5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is MMAREJGFNDWQFH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-17(19-13-15-4-3-11-24-15)16-12-18(25-20-16)5-8-22(14-18)10-9-21-6-1-2-7-21/h3-4,11H,1-2,5-10,12-14H2,(H,19,23)/t18-/m0/s1.

What are the key properties of (5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

(5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).