[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-butylcarbamate

C25H23NO3 — CID 10317928

IUPAC[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-butylcarbamate
SMILESCCCCNC(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C25H23NO3/c1-2-3-16-26-25(28)29-22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)27/h4-15,27H,2-3,16H2,1H3,(H,26,28)
InChIKeyWRNOKZVHIKETOO-UHFFFAOYSA-N
MW385.46 g/mol
LogP6.25
Rot. Bonds5

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

[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-butylcarbamate (PubChem CID 10317928) 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-butylcarbamate.

Molecular Properties

Compound Name[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-butylcarbamate
PubChem CID10317928
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-butylcarbamate
SMILESCCCCNC(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C25H23NO3/c1-2-3-16-26-25(28)29-22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)27/h4-15,27H,2-3,16H2,1H3,(H,26,28)
InChIKeyWRNOKZVHIKETOO-UHFFFAOYSA-N
XLogP6.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-butylcarbamate?
The IUPAC name of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-butylcarbamate (CID 10317928) is [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-butylcarbamate.
What is the SMILES notation for [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-butylcarbamate?
The canonical SMILES for [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-butylcarbamate is CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-butylcarbamate?
The InChIKey is WRNOKZVHIKETOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-2-3-16-26-25(28)29-22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)27/h4-15,27H,2-3,16H2,1H3,(H,26,28).
What are the key properties of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-butylcarbamate?
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] N-butylcarbamate has a molecular weight of 385.46 g/mol, XLogP of 6.25, 5 rotatable bonds, 2 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-butylcarbamate is sourced from PubChem (CID 10317928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).