ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate

C31H37NO5 — CID 15858929

About ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate

ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate (PubChem CID 15858929) has the molecular formula C31H37NO5 and a molecular weight of 503.64 g/mol. Its IUPAC name is ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate
• PubChem CID: 15858929
• Molecular Formula: C31H37NO5
• Molecular Weight: 503.64 g/mol
• Exact Mass: 503.27
• IUPAC Name: ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate
• SMILES: CCOC(=O)CN(CCCC1OCC(c2cccc3cc(OC)ccc23)CO1)C1CCc2ccccc21
• InChI: InChI=1S/C31H37NO5/c1-3-35-30(33)19-32(29-16-13-22-8-4-5-10-28(22)29)17-7-12-31-36-20-24(21-37-31)26-11-6-9-23-18-25(34-2)14-15-27(23)26/h4-6,8-11,14-15,18,24,29,31H,3,7,12-13,16-17,19-21H2,1-2H3
• InChIKey: KSMPIHUUQYLIQU-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 57.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.64
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate?

The IUPAC name of ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate (CID 15858929) is ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate.

What is the SMILES notation for ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate?

The canonical SMILES for ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate is CCOC(=O)CN(CCCC1OCC(c2cccc3cc(OC)ccc23)CO1)C1CCc2ccccc21.

What is the InChIKey of ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate?

The InChIKey is KSMPIHUUQYLIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37NO5/c1-3-35-30(33)19-32(29-16-13-22-8-4-5-10-28(22)29)17-7-12-31-36-20-24(21-37-31)26-11-6-9-23-18-25(34-2)14-15-27(23)26/h4-6,8-11,14-15,18,24,29,31H,3,7,12-13,16-17,19-21H2,1-2H3.

What are the key properties of ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate?

ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate has a molecular weight of 503.64 g/mol, XLogP of 5.64, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate is sourced from PubChem (CID 15858929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).