tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate

C18H27NO3 — CID 146515239

IUPACtert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(Cc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H27NO3/c1-12(2)15(19-17(20)22-18(3,4)5)11-13-6-7-16-14(10-13)8-9-21-16/h6-7,10,12,15H,8-9,11H2,1-5H3,(H,19,20)
InChIKeyJZZIQQIKBOXIJQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.71
Rot. Bonds4

About tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate

tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate (PubChem CID 146515239) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate
PubChem CID146515239
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(Cc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H27NO3/c1-12(2)15(19-17(20)22-18(3,4)5)11-13-6-7-16-14(10-13)8-9-21-16/h6-7,10,12,15H,8-9,11H2,1-5H3,(H,19,20)
InChIKeyJZZIQQIKBOXIJQ-UHFFFAOYSA-N
XLogP3.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881682
methyl 3-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 135238814
(2R)-4-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 124678500
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbutanoic acid
CID 116930721
1-tert-butyl-3-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 100694484
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide
CID 91637761
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]carbamate
CID 71987002
tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate
CID 107237507
methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate
CID 91813566
tert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate
CID 60557656
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65191054

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate (CID 146515239) is tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate is CC(C)C(Cc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate?
The InChIKey is JZZIQQIKBOXIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-12(2)15(19-17(20)22-18(3,4)5)11-13-6-7-16-14(10-13)8-9-21-16/h6-7,10,12,15H,8-9,11H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate?
tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 146515239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).