[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate

C25H23NO3 — CID 11794494

IUPAC[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C25H23NO3/c1-3-26(4-2)25(28)29-22-16-14-18-10-6-8-12-20(18)24(22)23-19-11-7-5-9-17(19)13-15-21(23)27/h5-16,27H,3-4H2,1-2H3
InChIKeyQERYOUYMAKMPJJ-UHFFFAOYSA-N
MW385.46 g/mol
LogP6.21
Rot. Bonds4

About [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate

[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate (PubChem CID 11794494) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate
PubChem CID11794494
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C25H23NO3/c1-3-26(4-2)25(28)29-22-16-14-18-10-6-8-12-20(18)24(22)23-19-11-7-5-9-17(19)13-15-21(23)27/h5-16,27H,3-4H2,1-2H3
InChIKeyQERYOUYMAKMPJJ-UHFFFAOYSA-N
XLogP6.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate?
The IUPAC name of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate (CID 11794494) is [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate.
What is the SMILES notation for [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate?
The canonical SMILES for [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate?
The InChIKey is QERYOUYMAKMPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-3-26(4-2)25(28)29-22-16-14-18-10-6-8-12-20(18)24(22)23-19-11-7-5-9-17(19)13-15-21(23)27/h5-16,27H,3-4H2,1-2H3.
What are the key properties of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate?
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate has a molecular weight of 385.46 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N,N-diethylcarbamate is sourced from PubChem (CID 11794494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).