(5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate

C16H18ClNO2 — CID 167225078

IUPAC(5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCC(C)c1cc(OC(=O)N(C)C)cc2cccc(Cl)c12
InChIInChI=1S/C16H18ClNO2/c1-10(2)13-9-12(20-16(19)18(3)4)8-11-6-5-7-14(17)15(11)13/h5-10H,1-4H3
InChIKeyZDIQVHRKMNITGT-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.68
Rot. Bonds2

About (5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate

(5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate (PubChem CID 167225078) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is (5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate
PubChem CID167225078
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name(5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCC(C)c1cc(OC(=O)N(C)C)cc2cccc(Cl)c12
InChIInChI=1S/C16H18ClNO2/c1-10(2)13-9-12(20-16(19)18(3)4)8-11-6-5-7-14(17)15(11)13/h5-10H,1-4H3
InChIKeyZDIQVHRKMNITGT-UHFFFAOYSA-N
XLogP4.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate?
The IUPAC name of (5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate (CID 167225078) is (5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate?
The canonical SMILES for (5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate is CC(C)c1cc(OC(=O)N(C)C)cc2cccc(Cl)c12.
What is the InChIKey of (5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate?
The InChIKey is ZDIQVHRKMNITGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-10(2)13-9-12(20-16(19)18(3)4)8-11-6-5-7-14(17)15(11)13/h5-10H,1-4H3.
What are the key properties of (5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate?
(5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate has a molecular weight of 291.78 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-propan-2-ylnaphthalen-2-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 167225078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).