N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide

C22H30N2O5 — CID 142969965

About N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide (PubChem CID 142969965) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
• PubChem CID: 142969965
• Molecular Formula: C22H30N2O5
• Molecular Weight: 402.49 g/mol
• Exact Mass: 402.22
• IUPAC Name: N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
• SMILES: CCC(CC)(CO)NC(=O)c1cc2ccc(OC)c3c2n(c1=O)CCCCCO3
• InChI: InChI=1S/C22H30N2O5/c1-4-22(5-2,14-25)23-20(26)16-13-15-9-10-17(28-3)19-18(15)24(21(16)27)11-7-6-8-12-29-19/h9-10,13,25H,4-8,11-12,14H2,1-3H3,(H,23,26)
• InChIKey: ZOLIQLFEDSTJAS-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 89.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.49
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?

The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide (CID 142969965) is N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide.

What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?

The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide is CCC(CC)(CO)NC(=O)c1cc2ccc(OC)c3c2n(c1=O)CCCCCO3.

What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?

The InChIKey is ZOLIQLFEDSTJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-4-22(5-2,14-25)23-20(26)16-13-15-9-10-17(28-3)19-18(15)24(21(16)27)11-7-6-8-12-29-19/h9-10,13,25H,4-8,11-12,14H2,1-3H3,(H,23,26).

What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?

N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide is sourced from PubChem (CID 142969965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).