1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate

C20H21NO3 — CID 175480089

IUPAC1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)Oc1cccc2ccoc12
InChIInChI=1S/C20H21NO3/c1-20(2,3)21(14-15-8-5-4-6-9-15)19(22)24-17-11-7-10-16-12-13-23-18(16)17/h4-13H,14H2,1-3H3
InChIKeyYAECKTQNJRUKSM-UHFFFAOYSA-N
MW323.39 g/mol
LogP5.23
Rot. Bonds3

About 1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate

1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate (PubChem CID 175480089) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate.

Molecular Properties

Compound Name1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate
PubChem CID175480089
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)Oc1cccc2ccoc12
InChIInChI=1S/C20H21NO3/c1-20(2,3)21(14-15-8-5-4-6-9-15)19(22)24-17-11-7-10-16-12-13-23-18(16)17/h4-13H,14H2,1-3H3
InChIKeyYAECKTQNJRUKSM-UHFFFAOYSA-N
XLogP5.23
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-7-yl N,N-dimethylcarbamate
CID 134111675
(6-formyl-7-hydroxy-1-benzofuran-4-yl) N-benzyl-N-tert-butylcarbamate
CID 175256514
benzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate
CID 175480088
N-benzyl-N-tert-butylnaphthalene-1-carboxamide
CID 10914114
N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide
CID 2203262
methyl N-[(4-bromophenyl)methyl]-N-tert-butylcarbamate
CID 142744297
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
N-benzyl-N-tert-butyl-2-(cyclopropylamino)acetamide
CID 54773142
tert-butyl-[[3-(hydroxycarbamoyl)phenyl]methyl]carbamic acid
CID 126574790
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 16532999
tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid
CID 68877183

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate?
The IUPAC name of 1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate (CID 175480089) is 1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate.
What is the SMILES notation for 1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate?
The canonical SMILES for 1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate is CC(C)(C)N(Cc1ccccc1)C(=O)Oc1cccc2ccoc12.
What is the InChIKey of 1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate?
The InChIKey is YAECKTQNJRUKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(2,3)21(14-15-8-5-4-6-9-15)19(22)24-17-11-7-10-16-12-13-23-18(16)17/h4-13H,14H2,1-3H3.
What are the key properties of 1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate?
1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate has a molecular weight of 323.39 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate is sourced from PubChem (CID 175480089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).