2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide

C22H30N2O4 — CID 53423033

IUPAC2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CCCC1OCC(c2cccc3cc(OC)ccc23)CO1
InChIInChI=1S/C22H30N2O4/c1-23-21(25)13-24(2)11-5-8-22-27-14-17(15-28-22)19-7-4-6-16-12-18(26-3)9-10-20(16)19/h4,6-7,9-10,12,17,22H,5,8,11,13-15H2,1-3H3,(H,23,25)
InChIKeyKHDNZQAZZSWXAM-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.76
Rot. Bonds8

About 2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide

2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide (PubChem CID 53423033) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide
PubChem CID53423033
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CCCC1OCC(c2cccc3cc(OC)ccc23)CO1
InChIInChI=1S/C22H30N2O4/c1-23-21(25)13-24(2)11-5-8-22-27-14-17(15-28-22)19-7-4-6-16-12-18(26-3)9-10-20(16)19/h4,6-7,9-10,12,17,22H,5,8,11,13-15H2,1-3H3,(H,23,25)
InChIKeyKHDNZQAZZSWXAM-UHFFFAOYSA-N
XLogP2.76
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide (CID 53423033) is 2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)CCCC1OCC(c2cccc3cc(OC)ccc23)CO1.
What is the InChIKey of 2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide?
The InChIKey is KHDNZQAZZSWXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-23-21(25)13-24(2)11-5-8-22-27-14-17(15-28-22)19-7-4-6-16-12-18(26-3)9-10-20(16)19/h4,6-7,9-10,12,17,22H,5,8,11,13-15H2,1-3H3,(H,23,25).
What are the key properties of 2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide?
2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide has a molecular weight of 386.49 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 53423033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).