N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide

C17H25NO2 — CID 21478688

IUPACN-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide
SMILESCCC(=O)Nc1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2
InChIInChI=1S/C17H25NO2/c1-7-14(19)18-11-8-12(16(2,3)4)15-13(9-11)17(5,6)10-20-15/h8-9H,7,10H2,1-6H3,(H,18,19)
InChIKeyDYIPCZLNGKVYRH-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.00
Rot. Bonds2

About N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide

N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide (PubChem CID 21478688) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide.

Molecular Properties

Compound NameN-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide
PubChem CID21478688
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide
SMILESCCC(=O)Nc1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2
InChIInChI=1S/C17H25NO2/c1-7-14(19)18-11-8-12(16(2,3)4)15-13(9-11)17(5,6)10-20-15/h8-9H,7,10H2,1-6H3,(H,18,19)
InChIKeyDYIPCZLNGKVYRH-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-tert-butyl-3,3-dimethyl-N-pentyl-2H-1-benzofuran-5-carboxamide
CID 10829314
1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methyl-3-sulfanylbutan-1-one
CID 22905863
(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-cyclopentylmethanone
CID 10494474
1-[1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]butan-1-one
CID 69114568
(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-thiophen-2-ylmethanone
CID 10757665
(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-(1,3-thiazol-2-yl)methanone
CID 10495564
ethyl (2E,4E)-5-[(1S,2S)-2-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoate
CID 10092175
N-(2-tert-butyl-4-hydroxyphenyl)propanamide
CID 18630003
(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-pyrrolidin-1-ylmethanimine;hydrochloride
CID 22907290
N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide
CID 14988663
1-(4-tert-butylphenyl)-N-[2-chloro-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 55799431
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347

Frequently Asked Questions

What is the IUPAC name of N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide?
The IUPAC name of N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide (CID 21478688) is N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide.
What is the SMILES notation for N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide?
The canonical SMILES for N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide is CCC(=O)Nc1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2.
What is the InChIKey of N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide?
The InChIKey is DYIPCZLNGKVYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-7-14(19)18-11-8-12(16(2,3)4)15-13(9-11)17(5,6)10-20-15/h8-9H,7,10H2,1-6H3,(H,18,19).
What are the key properties of N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide?
N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide has a molecular weight of 275.39 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)propanamide is sourced from PubChem (CID 21478688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).