methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate

C26H35NO4 — CID 66926452

IUPACmethyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(Cc2ccc3cc(OC4CCC(C(C)(C)OC)CC4)ccc3c2)C1
InChIInChI=1S/C26H35NO4/c1-26(2,30-4)22-8-11-23(12-9-22)31-24-10-7-19-13-18(5-6-20(19)14-24)15-27-16-21(17-27)25(28)29-3/h5-7,10,13-14,21-23H,8-9,11-12,15-17H2,1-4H3
InChIKeyQULOVTGBVCKILP-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.81
Rot. Bonds7

About methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate

methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate (PubChem CID 66926452) has the molecular formula C26H35NO4 and a molecular weight of 425.57 g/mol. Its IUPAC name is methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate
PubChem CID66926452
Molecular FormulaC26H35NO4
Molecular Weight425.57 g/mol
Exact Mass425.26
IUPAC Namemethyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(Cc2ccc3cc(OC4CCC(C(C)(C)OC)CC4)ccc3c2)C1
InChIInChI=1S/C26H35NO4/c1-26(2,30-4)22-8-11-23(12-9-22)31-24-10-7-19-13-18(5-6-20(19)14-24)15-27-16-21(17-27)25(28)29-3/h5-7,10,13-14,21-23H,8-9,11-12,15-17H2,1-4H3
InChIKeyQULOVTGBVCKILP-UHFFFAOYSA-N
XLogP4.81
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate?
The IUPAC name of methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate (CID 66926452) is methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate?
The canonical SMILES for methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate is COC(=O)C1CN(Cc2ccc3cc(OC4CCC(C(C)(C)OC)CC4)ccc3c2)C1.
What is the InChIKey of methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate?
The InChIKey is QULOVTGBVCKILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO4/c1-26(2,30-4)22-8-11-23(12-9-22)31-24-10-7-19-13-18(5-6-20(19)14-24)15-27-16-21(17-27)25(28)29-3/h5-7,10,13-14,21-23H,8-9,11-12,15-17H2,1-4H3.
What are the key properties of methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate?
methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate has a molecular weight of 425.57 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[6-[4-(2-methoxypropan-2-yl)cyclohexyl]oxynaphthalen-2-yl]methyl]azetidine-3-carboxylate is sourced from PubChem (CID 66926452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).