tert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate

C22H25NO4 — CID 139560205

IUPACtert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2cc(CCO)cc3ccoc23)c1
InChIInChI=1S/C22H25NO4/c1-22(2,3)27-21(25)23-14-16-5-4-6-17(12-16)19-13-15(7-9-24)11-18-8-10-26-20(18)19/h4-6,8,10-13,24H,7,9,14H2,1-3H3,(H,23,25)
InChIKeyFFBALEZCKQAJOZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.66
Rot. Bonds5

About tert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate

tert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate (PubChem CID 139560205) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is tert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate
PubChem CID139560205
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Nametert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2cc(CCO)cc3ccoc23)c1
InChIInChI=1S/C22H25NO4/c1-22(2,3)27-21(25)23-14-16-5-4-6-17(12-16)19-13-15(7-9-24)11-18-8-10-26-20(18)19/h4-6,8,10-13,24H,7,9,14H2,1-3H3,(H,23,25)
InChIKeyFFBALEZCKQAJOZ-UHFFFAOYSA-N
XLogP4.66
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[3-[5-(hydroxymethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate;ethane
CID 153350458
tert-butyl N-[[3-(5-formamido-1-benzofuran-7-yl)phenyl]methyl]carbamate
CID 139576507
methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 151081349
methyl 2-[5-(1-ethoxyethenyl)-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 146236985
ethyl 2-acetamido-2-[2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139561970
tert-butyl N-[[3-[5-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]pyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]phenyl]methyl]carbamate
CID 146237005
tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate
CID 58911434
methyl 2-[2-[[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]-phenylmethoxycarbonylamino]methyl]phenyl]acetate
CID 146237101
[[2-[2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]-3-phenylpropanoyl]amino] butanoate
CID 175083443
tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
CID 110282100
methyl 7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1,3-benzoxazole-5-carboxylate
CID 138491589
tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate
CID 167192366

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate (CID 139560205) is tert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(-c2cc(CCO)cc3ccoc23)c1.
What is the InChIKey of tert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate?
The InChIKey is FFBALEZCKQAJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-22(2,3)27-21(25)23-14-16-5-4-6-17(12-16)19-13-15(7-9-24)11-18-8-10-26-20(18)19/h4-6,8,10-13,24H,7,9,14H2,1-3H3,(H,23,25).
What are the key properties of tert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate?
tert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate has a molecular weight of 367.45 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[5-(2-hydroxyethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 139560205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).