2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide

C25H33NO3 — CID 155988867

IUPAC2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide
SMILESCC(C)OCCNC(=O)c1ccc2c(c1)CC(C)(Cc1ccc(C(C)C)cc1)O2
InChIInChI=1S/C25H33NO3/c1-17(2)20-8-6-19(7-9-20)15-25(5)16-22-14-21(10-11-23(22)29-25)24(27)26-12-13-28-18(3)4/h6-11,14,17-18H,12-13,15-16H2,1-5H3,(H,26,27)
InChIKeyHRRWZEJCKQHULG-UHFFFAOYSA-N
MW395.54 g/mol
LogP4.90
Rot. Bonds8

About 2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide

2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide (PubChem CID 155988867) has the molecular formula C25H33NO3 and a molecular weight of 395.54 g/mol. Its IUPAC name is 2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide
PubChem CID155988867
Molecular FormulaC25H33NO3
Molecular Weight395.54 g/mol
Exact Mass395.25
IUPAC Name2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide
SMILESCC(C)OCCNC(=O)c1ccc2c(c1)CC(C)(Cc1ccc(C(C)C)cc1)O2
InChIInChI=1S/C25H33NO3/c1-17(2)20-8-6-19(7-9-20)15-25(5)16-22-14-21(10-11-23(22)29-25)24(27)26-12-13-28-18(3)4/h6-11,14,17-18H,12-13,15-16H2,1-5H3,(H,26,27)
InChIKeyHRRWZEJCKQHULG-UHFFFAOYSA-N
XLogP4.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide
CID 110161407
2-[2-methyl-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-yl]acetic acid
CID 110161305
2-[2-(4-chlorophenyl)ethyl-[2-methyl-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carbonyl]amino]acetic acid
CID 110161436
3-[(4-tert-butylphenyl)methyl-[2-methyl-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carbonyl]amino]propanoic acid
CID 132774173
N-(1,3-dihydroxypropan-2-yl)-2-[(2S)-2-methyl-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-yl]acetamide
CID 124963177
2-[(4-butylphenyl)methyl-[2-methyl-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carbonyl]amino]acetic acid
CID 132780682
3-[(2-chlorophenyl)methyl-[2-methyl-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carbonyl]amino]propanoic acid
CID 132773970
2-[(2-methoxyphenyl)methyl-[(2S)-2-methyl-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carbonyl]amino]acetic acid
CID 124960458
3-[(3-fluorophenyl)methyl-[2-methyl-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carbonyl]amino]propanoic acid
CID 132773751
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
N-(2-hydroxyethyl)-3-[(2R)-2-methyl-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-yl]-N-propan-2-ylpropanamide
CID 124947591
N-(2-hydroxyethyl)-3-[(2S)-2-methyl-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 129453679

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide (CID 155988867) is 2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide is CC(C)OCCNC(=O)c1ccc2c(c1)CC(C)(Cc1ccc(C(C)C)cc1)O2.
What is the InChIKey of 2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide?
The InChIKey is HRRWZEJCKQHULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO3/c1-17(2)20-8-6-19(7-9-20)15-25(5)16-22-14-21(10-11-23(22)29-25)24(27)26-12-13-28-18(3)4/h6-11,14,17-18H,12-13,15-16H2,1-5H3,(H,26,27).
What are the key properties of 2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide?
2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide has a molecular weight of 395.54 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 155988867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).