N-cyclopropyl-3-(9-oxo-11-propan-2-yl-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)propanamide

C23H35N3O3 — CID 110070340

About N-cyclopropyl-3-(9-oxo-11-propan-2-yl-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)propanamide

N-cyclopropyl-3-(9-oxo-11-propan-2-yl-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)propanamide (PubChem CID 110070340) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-cyclopropyl-3-(9-oxo-11-propan-2-yl-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)propanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-(9-oxo-11-propan-2-yl-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)propanamide
• PubChem CID: 110070340
• Molecular Formula: C23H35N3O3
• Molecular Weight: 401.55 g/mol
• Exact Mass: 401.27
• IUPAC Name: N-cyclopropyl-3-(9-oxo-11-propan-2-yl-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)propanamide
• SMILES: CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)NC3CC3)cc2C1
• InChI: InChI=1S/C23H35N3O3/c1-17(2)26-15-19-14-18(7-11-22(27)25-20-8-9-20)6-10-21(19)29-13-5-3-4-12-24-23(28)16-26/h6,10,14,17,20H,3-5,7-9,11-13,15-16H2,1-2H3,(H,24,28)(H,25,27)
• InChIKey: XYXOXCWBKGVFKN-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.55
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(9-oxo-11-propan-2-yl-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)propanamide?

The IUPAC name of N-cyclopropyl-3-(9-oxo-11-propan-2-yl-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)propanamide (CID 110070340) is N-cyclopropyl-3-(9-oxo-11-propan-2-yl-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)propanamide.

What is the SMILES notation for N-cyclopropyl-3-(9-oxo-11-propan-2-yl-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)propanamide?

The canonical SMILES for N-cyclopropyl-3-(9-oxo-11-propan-2-yl-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)propanamide is CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)NC3CC3)cc2C1.

What is the InChIKey of N-cyclopropyl-3-(9-oxo-11-propan-2-yl-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)propanamide?

The InChIKey is XYXOXCWBKGVFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-17(2)26-15-19-14-18(7-11-22(27)25-20-8-9-20)6-10-21(19)29-13-5-3-4-12-24-23(28)16-26/h6,10,14,17,20H,3-5,7-9,11-13,15-16H2,1-2H3,(H,24,28)(H,25,27).

What are the key properties of N-cyclopropyl-3-(9-oxo-11-propan-2-yl-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)propanamide?

N-cyclopropyl-3-(9-oxo-11-propan-2-yl-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)propanamide has a molecular weight of 401.55 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-(9-oxo-11-propan-2-yl-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)propanamide is sourced from PubChem (CID 110070340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).