ethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate

C16H23NO3 — CID 10564490

IUPACethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate
SMILESCCOC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(C)O2
InChIInChI=1S/C16H23NO3/c1-7-19-15(18)17-13-9(2)10(3)14-12(11(13)4)8-16(5,6)20-14/h7-8H2,1-6H3,(H,17,18)
InChIKeyADSJIKAVZYPPRE-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.89
Rot. Bonds2

About ethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate

ethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate (PubChem CID 10564490) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate
PubChem CID10564490
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate
SMILESCCOC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(C)O2
InChIInChI=1S/C16H23NO3/c1-7-19-15(18)17-13-9(2)10(3)14-12(11(13)4)8-16(5,6)20-14/h7-8H2,1-6H3,(H,17,18)
InChIKeyADSJIKAVZYPPRE-UHFFFAOYSA-N
XLogP3.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
CID 10035862
2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine
CID 10610515
2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10633526
2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine
CID 10681821
2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine
CID 10729182
N,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine
CID 10704113
N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
CID 10728357
5-Formylamino-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
CID 10752118
7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine
CID 10753096
5-Acetylamino-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
CID 10776887
2,2,4,6,7-pentamethyl-N-propyl-3H-1-benzofuran-5-amine
CID 10800533
2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10801469

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate?
The IUPAC name of ethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate (CID 10564490) is ethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate.
What is the SMILES notation for ethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate?
The canonical SMILES for ethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate is CCOC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(C)O2.
What is the InChIKey of ethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate?
The InChIKey is ADSJIKAVZYPPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-7-19-15(18)17-13-9(2)10(3)14-12(11(13)4)8-16(5,6)20-14/h7-8H2,1-6H3,(H,17,18).
What are the key properties of ethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate?
ethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate has a molecular weight of 277.36 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamate is sourced from PubChem (CID 10564490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).