[3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate

C31H29NO5 — CID 73324353

IUPAC[3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate
SMILESCOc1ccc(OC2C=CC(c3ccccc3)OC2COC(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C31H29NO5/c1-34-25-14-16-26(17-15-25)36-29-19-18-28(23-9-3-2-4-10-23)37-30(29)21-35-31(33)32-20-24-12-7-11-22-8-5-6-13-27(22)24/h2-19,28-30H,20-21H2,1H3,(H,32,33)
InChIKeyKTBARTGPLSGVLG-UHFFFAOYSA-N
MW495.58 g/mol
LogP6.22
Rot. Bonds8

About [3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate

[3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate (PubChem CID 73324353) has the molecular formula C31H29NO5 and a molecular weight of 495.58 g/mol. Its IUPAC name is [3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate.

Molecular Properties

Compound Name[3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate
PubChem CID73324353
Molecular FormulaC31H29NO5
Molecular Weight495.58 g/mol
Exact Mass495.20
IUPAC Name[3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate
SMILESCOc1ccc(OC2C=CC(c3ccccc3)OC2COC(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C31H29NO5/c1-34-25-14-16-26(17-15-25)36-29-19-18-28(23-9-3-2-4-10-23)37-30(29)21-35-31(33)32-20-24-12-7-11-22-8-5-6-13-27(22)24/h2-19,28-30H,20-21H2,1H3,(H,32,33)
InChIKeyKTBARTGPLSGVLG-UHFFFAOYSA-N
XLogP6.22
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate?
The IUPAC name of [3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate (CID 73324353) is [3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate.
What is the SMILES notation for [3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate?
The canonical SMILES for [3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate is COc1ccc(OC2C=CC(c3ccccc3)OC2COC(=O)NCc2cccc3ccccc23)cc1.
What is the InChIKey of [3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate?
The InChIKey is KTBARTGPLSGVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO5/c1-34-25-14-16-26(17-15-25)36-29-19-18-28(23-9-3-2-4-10-23)37-30(29)21-35-31(33)32-20-24-12-7-11-22-8-5-6-13-27(22)24/h2-19,28-30H,20-21H2,1H3,(H,32,33).
What are the key properties of [3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate?
[3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate has a molecular weight of 495.58 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methyl N-(naphthalen-1-ylmethyl)carbamate is sourced from PubChem (CID 73324353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).