tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate

C18H27NO3 — CID 58215859

IUPACtert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCOc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C18H27NO3/c1-17(2,3)12-7-8-15-13(11-12)14(9-10-21-15)19-16(20)22-18(4,5)6/h7-8,11,14H,9-10H2,1-6H3,(H,19,20)
InChIKeyHSBDVJHOFNZIEN-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.33
Rot. Bonds1

About tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate

tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate (PubChem CID 58215859) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate
PubChem CID58215859
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCOc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C18H27NO3/c1-17(2,3)12-7-8-15-13(11-12)14(9-10-21-15)19-16(20)22-18(4,5)6/h7-8,11,14H,9-10H2,1-6H3,(H,19,20)
InChIKeyHSBDVJHOFNZIEN-UHFFFAOYSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 164592811
tert-butyl N-(6-iodo-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 70330503
tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 144863293
methyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylcarbamothioylamino]-3,4-dihydro-2H-chromene-6-carboxylate
CID 168919146
tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
CID 688318
tert-butyl N-[1-[(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 108764660
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
tert-butyl N-[6-chloro-7-(pyridin-4-ylsulfanylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 87917973
tert-butyl N-[7-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 139331019
tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate
CID 9193212
tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
CID 146234658
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate?
The IUPAC name of tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate (CID 58215859) is tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate is CC(C)(C)OC(=O)NC1CCOc2ccc(C(C)(C)C)cc21.
What is the InChIKey of tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate?
The InChIKey is HSBDVJHOFNZIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-17(2,3)12-7-8-15-13(11-12)14(9-10-21-15)19-16(20)22-18(4,5)6/h7-8,11,14H,9-10H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate?
tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate has a molecular weight of 305.42 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate is sourced from PubChem (CID 58215859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).