N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C15H19NO3 — CID 8779973

IUPACN-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NC(C)(C)C)oc2ccccc12
InChIInChI=1S/C15H19NO3/c1-15(2,3)16-14(17)13-11(9-18-4)10-7-5-6-8-12(10)19-13/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyILQSXYOQOYOWSN-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.11
Rot. Bonds3

About N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 8779973) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID8779973
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NC(C)(C)C)oc2ccccc12
InChIInChI=1S/C15H19NO3/c1-15(2,3)16-14(17)13-11(9-18-4)10-7-5-6-8-12(10)19-13/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyILQSXYOQOYOWSN-UHFFFAOYSA-N
XLogP3.11
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9089939
N-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20925986
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 51148702
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 51153654
(2S)-2-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119360844
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 8533387
3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 55335651

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 8779973) is N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)NC(C)(C)C)oc2ccccc12.
What is the InChIKey of N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ILQSXYOQOYOWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2,3)16-14(17)13-11(9-18-4)10-7-5-6-8-12(10)19-13/h5-8H,9H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8779973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).