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

C17H21NO2 — CID 70688925

IUPAC(1-butylnaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCCCCc1c(OC(=O)N(C)C)ccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-4-5-9-15-14-10-7-6-8-13(14)11-12-16(15)20-17(19)18(2)3/h6-8,10-12H,4-5,9H2,1-3H3
InChIKeyCSRKIQBQFVCYTJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.24
Rot. Bonds4

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

(1-butylnaphthalen-2-yl) N,N-dimethylcarbamate (PubChem CID 70688925) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1-butylnaphthalen-2-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1-butylnaphthalen-2-yl) N,N-dimethylcarbamate
PubChem CID70688925
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1-butylnaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCCCCc1c(OC(=O)N(C)C)ccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-4-5-9-15-14-10-7-6-8-13(14)11-12-16(15)20-17(19)18(2)3/h6-8,10-12H,4-5,9H2,1-3H3
InChIKeyCSRKIQBQFVCYTJ-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-butylnaphthalen-2-yl) N,N-dimethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-butylnaphthalen-2-yl) N,N-dimethylcarbamate?
The IUPAC name of (1-butylnaphthalen-2-yl) N,N-dimethylcarbamate (CID 70688925) is (1-butylnaphthalen-2-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (1-butylnaphthalen-2-yl) N,N-dimethylcarbamate?
The canonical SMILES for (1-butylnaphthalen-2-yl) N,N-dimethylcarbamate is CCCCc1c(OC(=O)N(C)C)ccc2ccccc12.
What is the InChIKey of (1-butylnaphthalen-2-yl) N,N-dimethylcarbamate?
The InChIKey is CSRKIQBQFVCYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-5-9-15-14-10-7-6-8-13(14)11-12-16(15)20-17(19)18(2)3/h6-8,10-12H,4-5,9H2,1-3H3.
What are the key properties of (1-butylnaphthalen-2-yl) N,N-dimethylcarbamate?
(1-butylnaphthalen-2-yl) N,N-dimethylcarbamate has a molecular weight of 271.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylnaphthalen-2-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 70688925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).