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

C13H17NO2 — CID 2821709

IUPACN-tert-butyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO2/c1-13(2,3)14-12(15)10-4-5-11-9(8-10)6-7-16-11/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyBACMZMXPSNGIAM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.15
Rot. Bonds1

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

N-tert-butyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 2821709) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-tert-butyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID2821709
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-tert-butyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO2/c1-13(2,3)14-12(15)10-4-5-11-9(8-10)6-7-16-11/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyBACMZMXPSNGIAM-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2815417
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CID 1735927
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CID 2821731
CID 2821731
CID 222006
CID 222006
CID 721195
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CID 2232178
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CID 9947925
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-tert-butyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 2821709) is N-tert-butyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-tert-butyl-2,3-dihydro-1-benzofuran-5-carboxamide is CC(C)(C)NC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-tert-butyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is BACMZMXPSNGIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,3)14-12(15)10-4-5-11-9(8-10)6-7-16-11/h4-5,8H,6-7H2,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-tert-butyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 2821709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).