2,3-dihydro-1H-inden-2-yl N-[(2R)-3-[[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)benzoyl]amino]-2-hydroxypropyl]carbamate

C30H35N3O8 — CID 145365316

About 2,3-dihydro-1H-inden-2-yl N-[(2R)-3-[[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)benzoyl]amino]-2-hydroxypropyl]carbamate

2,3-dihydro-1H-inden-2-yl N-[(2R)-3-[[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)benzoyl]amino]-2-hydroxypropyl]carbamate (PubChem CID 145365316) has the molecular formula C30H35N3O8 and a molecular weight of 565.62 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl N-[(2R)-3-[[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)benzoyl]amino]-2-hydroxypropyl]carbamate.

Molecular Properties

• Compound Name: 2,3-dihydro-1H-inden-2-yl N-[(2R)-3-[[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)benzoyl]amino]-2-hydroxypropyl]carbamate
• PubChem CID: 145365316
• Molecular Formula: C30H35N3O8
• Molecular Weight: 565.62 g/mol
• Exact Mass: 565.24
• IUPAC Name: 2,3-dihydro-1H-inden-2-yl N-[(2R)-3-[[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)benzoyl]amino]-2-hydroxypropyl]carbamate
• SMILES: CCOc1cc(C(=O)N2C3COCC2CC(=O)C3)ccc1C(=O)NC[C@@H](O)CNC(=O)OC1Cc2ccccc2C1
• InChI: InChI=1S/C30H35N3O8/c1-2-40-27-11-20(29(37)33-21-12-23(34)13-22(33)17-39-16-21)7-8-26(27)28(36)31-14-24(35)15-32-30(38)41-25-9-18-5-3-4-6-19(18)10-25/h3-8,11,21-22,24-25,35H,2,9-10,12-17H2,1H3,(H,31,36)(H,32,38)/t21?,22?,24-/m1/s1
• InChIKey: WPLYMGJXCNBYLC-UBVWURDFSA-N
• XLogP: 1.64
• TPSA: 143.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.62
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl N-[(2R)-3-[[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)benzoyl]amino]-2-hydroxypropyl]carbamate?

The IUPAC name of 2,3-dihydro-1H-inden-2-yl N-[(2R)-3-[[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)benzoyl]amino]-2-hydroxypropyl]carbamate (CID 145365316) is 2,3-dihydro-1H-inden-2-yl N-[(2R)-3-[[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)benzoyl]amino]-2-hydroxypropyl]carbamate.

What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl N-[(2R)-3-[[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)benzoyl]amino]-2-hydroxypropyl]carbamate?

The canonical SMILES for 2,3-dihydro-1H-inden-2-yl N-[(2R)-3-[[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)benzoyl]amino]-2-hydroxypropyl]carbamate is CCOc1cc(C(=O)N2C3COCC2CC(=O)C3)ccc1C(=O)NC[C@@H](O)CNC(=O)OC1Cc2ccccc2C1.

What is the InChIKey of 2,3-dihydro-1H-inden-2-yl N-[(2R)-3-[[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)benzoyl]amino]-2-hydroxypropyl]carbamate?

The InChIKey is WPLYMGJXCNBYLC-UBVWURDFSA-N. The full InChI is InChI=1S/C30H35N3O8/c1-2-40-27-11-20(29(37)33-21-12-23(34)13-22(33)17-39-16-21)7-8-26(27)28(36)31-14-24(35)15-32-30(38)41-25-9-18-5-3-4-6-19(18)10-25/h3-8,11,21-22,24-25,35H,2,9-10,12-17H2,1H3,(H,31,36)(H,32,38)/t21?,22?,24-/m1/s1.

What are the key properties of 2,3-dihydro-1H-inden-2-yl N-[(2R)-3-[[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)benzoyl]amino]-2-hydroxypropyl]carbamate?

2,3-dihydro-1H-inden-2-yl N-[(2R)-3-[[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)benzoyl]amino]-2-hydroxypropyl]carbamate has a molecular weight of 565.62 g/mol, XLogP of 1.64, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1H-inden-2-yl N-[(2R)-3-[[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)benzoyl]amino]-2-hydroxypropyl]carbamate is sourced from PubChem (CID 145365316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).