tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate

C17H23NO4 — CID 142472796

IUPACtert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate
SMILESCOc1cc2occc2c(C)c1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO4/c1-11-12(6-8-18-16(19)22-17(2,3)4)14(20-5)10-15-13(11)7-9-21-15/h7,9-10H,6,8H2,1-5H3,(H,18,19)
InChIKeyASAJMOMDJOTEBY-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.82
Rot. Bonds4

About tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate

tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate (PubChem CID 142472796) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate
PubChem CID142472796
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nametert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate
SMILESCOc1cc2occc2c(C)c1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO4/c1-11-12(6-8-18-16(19)22-17(2,3)4)14(20-5)10-15-13(11)7-9-21-15/h7,9-10H,6,8H2,1-5H3,(H,18,19)
InChIKeyASAJMOMDJOTEBY-UHFFFAOYSA-N
XLogP3.82
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 142979716
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CID 22981165
6-fluoro-5-methoxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indole-2-carboxylic acid
CID 118074756
tert-butyl N-[2-[4,5-dimethoxy-2,3-bis(sulfanyl)phenyl]ethyl]carbamate
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tert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate
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tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate
CID 59722487
tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate
CID 178156317
tert-butyl N-[2-(3-formyl-4-methoxyphenyl)ethyl]carbamate
CID 175662154
tert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate
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tert-butyl N-[[2,4,6-trimethoxy-3,5-bis[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 102224062
tert-butyl N-[2-(4-cyano-2,6-dimethylphenyl)ethyl]carbamate
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CID 86697210

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate (CID 142472796) is tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate is COc1cc2occc2c(C)c1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate?
The InChIKey is ASAJMOMDJOTEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11-12(6-8-18-16(19)22-17(2,3)4)14(20-5)10-15-13(11)7-9-21-15/h7,9-10H,6,8H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate?
tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate has a molecular weight of 305.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate is sourced from PubChem (CID 142472796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).