N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide

C29H46N4O3 — CID 155296586

About N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide

N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide (PubChem CID 155296586) has the molecular formula C29H46N4O3 and a molecular weight of 498.71 g/mol. Its IUPAC name is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide
• PubChem CID: 155296586
• Molecular Formula: C29H46N4O3
• Molecular Weight: 498.71 g/mol
• Exact Mass: 498.36
• IUPAC Name: N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide
• SMILES: CCC1NC(c2ccc3c(c2)CC[C@H]3NC(=O)C2CC(C(C)O)CC3(CCCCCCCC3)N2)NO1
• InChI: InChI=1S/C29H46N4O3/c1-3-26-31-27(33-36-26)21-10-12-23-20(16-21)11-13-24(23)30-28(35)25-17-22(19(2)34)18-29(32-25)14-8-6-4-5-7-9-15-29/h10,12,16,19,22,24-27,31-34H,3-9,11,13-15,17-18H2,1-2H3,(H,30,35)/t19?,22?,24-,25?,26?,27?/m1/s1
• InChIKey: YFDDDAWCYACBCM-KUVTUFQSSA-N
• XLogP: 4.27
• TPSA: 94.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.71
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide?

The IUPAC name of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide (CID 155296586) is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide.

What is the SMILES notation for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide?

The canonical SMILES for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide is CCC1NC(c2ccc3c(c2)CC[C@H]3NC(=O)C2CC(C(C)O)CC3(CCCCCCCC3)N2)NO1.

What is the InChIKey of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide?

The InChIKey is YFDDDAWCYACBCM-KUVTUFQSSA-N. The full InChI is InChI=1S/C29H46N4O3/c1-3-26-31-27(33-36-26)21-10-12-23-20(16-21)11-13-24(23)30-28(35)25-17-22(19(2)34)18-29(32-25)14-8-6-4-5-7-9-15-29/h10,12,16,19,22,24-27,31-34H,3-9,11,13-15,17-18H2,1-2H3,(H,30,35)/t19?,22?,24-,25?,26?,27?/m1/s1.

What are the key properties of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide?

N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide has a molecular weight of 498.71 g/mol, XLogP of 4.27, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide is sourced from PubChem (CID 155296586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).