tert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate

C18H24N2O4 — CID 156699510

IUPACtert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate
SMILESCCN(CC)C(=O)c1coc2cc(NC(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C18H24N2O4/c1-6-20(7-2)16(21)14-11-23-15-10-12(8-9-13(14)15)19-17(22)24-18(3,4)5/h8-11H,6-7H2,1-5H3,(H,19,22)
InChIKeyXAFYQVCWSLHYFJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.26
Rot. Bonds4

About tert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate

tert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate (PubChem CID 156699510) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate
PubChem CID156699510
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nametert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate
SMILESCCN(CC)C(=O)c1coc2cc(NC(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C18H24N2O4/c1-6-20(7-2)16(21)14-11-23-15-10-12(8-9-13(14)15)19-17(22)24-18(3,4)5/h8-11H,6-7H2,1-5H3,(H,19,22)
InChIKeyXAFYQVCWSLHYFJ-UHFFFAOYSA-N
XLogP4.26
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-chloro-3-(diethylcarbamoyl)phenyl]carbamate
CID 46831746
tert-butyl N-(6-fluoro-1-benzofuran-3-yl)carbamate
CID 130116518
tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate
CID 18782933
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 27804161
tert-butyl N-(5-methylfuran-3-yl)carbamate
CID 130056498
tert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate
CID 163754261
tert-butyl N-[5-(chloromethyl)naphthalen-2-yl]carbamate
CID 134433186
tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate
CID 134190155
N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide
CID 78959159
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-(7-hydroxynaphthalen-2-yl)carbamate
CID 59683245
tert-butyl N-(4-butanoylphenyl)carbamate
CID 69331401

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate (CID 156699510) is tert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate is CCN(CC)C(=O)c1coc2cc(NC(=O)OC(C)(C)C)ccc12.
What is the InChIKey of tert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate?
The InChIKey is XAFYQVCWSLHYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-6-20(7-2)16(21)14-11-23-15-10-12(8-9-13(14)15)19-17(22)24-18(3,4)5/h8-11H,6-7H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate?
tert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate has a molecular weight of 332.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(diethylcarbamoyl)-1-benzofuran-6-yl]carbamate is sourced from PubChem (CID 156699510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).