(1-propylnaphthalen-2-yl) N,N-dimethylcarbamate

C16H19NO2 — CID 70688924

IUPAC(1-propylnaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCCCc1c(OC(=O)N(C)C)ccc2ccccc12
InChIInChI=1S/C16H19NO2/c1-4-7-14-13-9-6-5-8-12(13)10-11-15(14)19-16(18)17(2)3/h5-6,8-11H,4,7H2,1-3H3
InChIKeyJGMZQPWIRIRGRM-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.85
Rot. Bonds3

About (1-propylnaphthalen-2-yl) N,N-dimethylcarbamate

(1-propylnaphthalen-2-yl) N,N-dimethylcarbamate (PubChem CID 70688924) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1-propylnaphthalen-2-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1-propylnaphthalen-2-yl) N,N-dimethylcarbamate
PubChem CID70688924
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(1-propylnaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCCCc1c(OC(=O)N(C)C)ccc2ccccc12
InChIInChI=1S/C16H19NO2/c1-4-7-14-13-9-6-5-8-12(13)10-11-15(14)19-16(18)17(2)3/h5-6,8-11H,4,7H2,1-3H3
InChIKeyJGMZQPWIRIRGRM-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-propylnaphthalen-2-yl) N,N-dimethylcarbamate?
The IUPAC name of (1-propylnaphthalen-2-yl) N,N-dimethylcarbamate (CID 70688924) is (1-propylnaphthalen-2-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (1-propylnaphthalen-2-yl) N,N-dimethylcarbamate?
The canonical SMILES for (1-propylnaphthalen-2-yl) N,N-dimethylcarbamate is CCCc1c(OC(=O)N(C)C)ccc2ccccc12.
What is the InChIKey of (1-propylnaphthalen-2-yl) N,N-dimethylcarbamate?
The InChIKey is JGMZQPWIRIRGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-4-7-14-13-9-6-5-8-12(13)10-11-15(14)19-16(18)17(2)3/h5-6,8-11H,4,7H2,1-3H3.
What are the key properties of (1-propylnaphthalen-2-yl) N,N-dimethylcarbamate?
(1-propylnaphthalen-2-yl) N,N-dimethylcarbamate has a molecular weight of 257.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylnaphthalen-2-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 70688924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).