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

C16H23NO2 — CID 10849016

IUPACN-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide
SMILESCCC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(C)O2
InChIInChI=1S/C16H23NO2/c1-7-13(18)17-14-9(2)10(3)15-12(11(14)4)8-16(5,6)19-15/h7-8H2,1-6H3,(H,17,18)
InChIKeyYQGCXCAEXNOEHX-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.67
Rot. Bonds2

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

N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide (PubChem CID 10849016) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide
PubChem CID10849016
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide
SMILESCCC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(C)O2
InChIInChI=1S/C16H23NO2/c1-7-13(18)17-14-9(2)10(3)15-12(11(14)4)8-16(5,6)19-15/h7-8H2,1-6H3,(H,17,18)
InChIKeyYQGCXCAEXNOEHX-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-dodecanoic acid (5-dimethylamino-2,2,4,6-tetramethyl-2,3-dihydro-benzofuran-7-yl)-amide
CID 9889692
5-Amino-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
CID 10035862
N-(2,2,4,6-tetramethyl-2,3-dihydrobenzofuran-7-yl)-2,2-dimethyldodecaneamide
CID 10573139
2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine
CID 10610515
2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine
CID 10681821
2,2,4,6,7-Pentamethyl-5-phenylamino-2,3-dihydrobenzofuran
CID 10707978
2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine
CID 10729182
N-(5-amino-2,2,4,6-tetramethyl-2,3-dihydrobenzofuran-7-yl)-2,2-dimethyldodecaneamide
CID 10811859
Tak-937
CID 49869061
N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexadecanamide
CID 10526605
N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
CID 10569963
2,2-dimethyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)tetradecanamide
CID 10598699

Frequently Asked Questions

What is the IUPAC name of N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide?
The IUPAC name of N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide (CID 10849016) is N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide.
What is the SMILES notation for N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide?
The canonical SMILES for N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide is CCC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(C)O2.
What is the InChIKey of N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide?
The InChIKey is YQGCXCAEXNOEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-7-13(18)17-14-9(2)10(3)15-12(11(14)4)8-16(5,6)19-15/h7-8H2,1-6H3,(H,17,18).
What are the key properties of N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide?
N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide has a molecular weight of 261.36 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)propanamide is sourced from PubChem (CID 10849016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).