(5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C20H24N2O3 — CID 97223420

About (5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 97223420) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

• Compound Name: (5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
• PubChem CID: 97223420
• Molecular Formula: C20H24N2O3
• Molecular Weight: 340.42 g/mol
• Exact Mass: 340.18
• IUPAC Name: (5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
• SMILES: O=C(N[C@H](c1cc2ccccc2o1)C1CC1)N1CC[C@]2(CCOC2)C1
• InChI: InChI=1S/C20H24N2O3/c23-19(22-9-7-20(12-22)8-10-24-13-20)21-18(14-5-6-14)17-11-15-3-1-2-4-16(15)25-17/h1-4,11,14,18H,5-10,12-13H2,(H,21,23)/t18-,20-/m0/s1
• InChIKey: ZILCJNMWSFBXII-ICSRJNTNSA-N
• XLogP: 3.71
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.42
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

The IUPAC name of (5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 97223420) is (5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

What is the SMILES notation for (5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

The canonical SMILES for (5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(N[C@H](c1cc2ccccc2o1)C1CC1)N1CC[C@]2(CCOC2)C1.

What is the InChIKey of (5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

The InChIKey is ZILCJNMWSFBXII-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-19(22-9-7-20(12-22)8-10-24-13-20)21-18(14-5-6-14)17-11-15-3-1-2-4-16(15)25-17/h1-4,11,14,18H,5-10,12-13H2,(H,21,23)/t18-,20-/m0/s1.

What are the key properties of (5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

(5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 97223420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).