tert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate

C20H27NO3 — CID 166457697

IUPACtert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate
SMILESC=CC1=Cc2ccc(N(CC)C(=O)OC(C)(C)C)cc2OC1(C)C
InChIInChI=1S/C20H27NO3/c1-8-15-12-14-10-11-16(13-17(14)23-20(15,6)7)21(9-2)18(22)24-19(3,4)5/h8,10-13H,1,9H2,2-7H3
InChIKeyYOVYAMJKUGFSBZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.19
Rot. Bonds3

About tert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate

tert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate (PubChem CID 166457697) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is tert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate
PubChem CID166457697
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Nametert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate
SMILESC=CC1=Cc2ccc(N(CC)C(=O)OC(C)(C)C)cc2OC1(C)C
InChIInChI=1S/C20H27NO3/c1-8-15-12-14-10-11-16(13-17(14)23-20(15,6)7)21(9-2)18(22)24-19(3,4)5/h8,10-13H,1,9H2,2-7H3
InChIKeyYOVYAMJKUGFSBZ-UHFFFAOYSA-N
XLogP5.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate?
The IUPAC name of tert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate (CID 166457697) is tert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate is C=CC1=Cc2ccc(N(CC)C(=O)OC(C)(C)C)cc2OC1(C)C.
What is the InChIKey of tert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate?
The InChIKey is YOVYAMJKUGFSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-8-15-12-14-10-11-16(13-17(14)23-20(15,6)7)21(9-2)18(22)24-19(3,4)5/h8,10-13H,1,9H2,2-7H3.
What are the key properties of tert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate?
tert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate has a molecular weight of 329.44 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate is sourced from PubChem (CID 166457697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).