N-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

C14H19NO2 — CID 2821731

IUPACN-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)CCO2)C(C)(C)C
InChIInChI=1S/C14H19NO2/c1-14(2,3)15(4)13(16)11-5-6-12-10(9-11)7-8-17-12/h5-6,9H,7-8H2,1-4H3
InChIKeyMQPHKOJPNZZQFE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.49
Rot. Bonds1

About N-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

N-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 2821731) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID2821731
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)CCO2)C(C)(C)C
InChIInChI=1S/C14H19NO2/c1-14(2,3)15(4)13(16)11-5-6-12-10(9-11)7-8-17-12/h5-6,9H,7-8H2,1-4H3
InChIKeyMQPHKOJPNZZQFE-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 2821731) is N-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is CN(C(=O)c1ccc2c(c1)CCO2)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is MQPHKOJPNZZQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)15(4)13(16)11-5-6-12-10(9-11)7-8-17-12/h5-6,9H,7-8H2,1-4H3.
What are the key properties of N-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 2821731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).