butyl N-naphthalen-1-ylcarbamate

C15H17NO2 — CID 4230695

IUPACbutyl N-naphthalen-1-ylcarbamate
SMILESCCCCOC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-2-3-11-18-15(17)16-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3,(H,16,17)
InChIKeyZCYZDPCLNIQOKH-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.19
Rot. Bonds4

About butyl N-naphthalen-1-ylcarbamate

butyl N-naphthalen-1-ylcarbamate (PubChem CID 4230695) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is butyl N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Namebutyl N-naphthalen-1-ylcarbamate
PubChem CID4230695
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namebutyl N-naphthalen-1-ylcarbamate
SMILESCCCCOC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-2-3-11-18-15(17)16-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3,(H,16,17)
InChIKeyZCYZDPCLNIQOKH-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 butyl N-naphthalen-1-ylcarbamate?
The IUPAC name of butyl N-naphthalen-1-ylcarbamate (CID 4230695) is butyl N-naphthalen-1-ylcarbamate.
What is the SMILES notation for butyl N-naphthalen-1-ylcarbamate?
The canonical SMILES for butyl N-naphthalen-1-ylcarbamate is CCCCOC(=O)Nc1cccc2ccccc12.
What is the InChIKey of butyl N-naphthalen-1-ylcarbamate?
The InChIKey is ZCYZDPCLNIQOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-3-11-18-15(17)16-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3,(H,16,17).
What are the key properties of butyl N-naphthalen-1-ylcarbamate?
butyl N-naphthalen-1-ylcarbamate has a molecular weight of 243.31 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 4230695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).