[5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate

C16H18N2O4 — CID 890157

IUPAC[5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc2c(OC(=O)N(C)C)cccc12
InChIInChI=1S/C16H18N2O4/c1-17(2)15(19)21-13-9-5-8-12-11(13)7-6-10-14(12)22-16(20)18(3)4/h5-10H,1-4H3
InChIKeyWXMMRUBDXGQDJF-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.96
Rot. Bonds2

About [5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate

[5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate (PubChem CID 890157) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is [5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate
PubChem CID890157
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name[5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc2c(OC(=O)N(C)C)cccc12
InChIInChI=1S/C16H18N2O4/c1-17(2)15(19)21-13-9-5-8-12-11(13)7-6-10-14(12)22-16(20)18(3)4/h5-10H,1-4H3
InChIKeyWXMMRUBDXGQDJF-UHFFFAOYSA-N
XLogP2.96
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate?
The IUPAC name of [5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate (CID 890157) is [5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate?
The canonical SMILES for [5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cccc2c(OC(=O)N(C)C)cccc12.
What is the InChIKey of [5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate?
The InChIKey is WXMMRUBDXGQDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-17(2)15(19)21-13-9-5-8-12-11(13)7-6-10-14(12)22-16(20)18(3)4/h5-10H,1-4H3.
What are the key properties of [5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate?
[5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate has a molecular weight of 302.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylcarbamoyloxy)naphthalen-1-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 890157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).