2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide

C18H25NO3 — CID 66915735

IUPAC2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide
SMILESCOc1ccc2cc(CC(=O)NC(C)CCC(C)C)oc2c1
InChIInChI=1S/C18H25NO3/c1-12(2)5-6-13(3)19-18(20)11-16-9-14-7-8-15(21-4)10-17(14)22-16/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,20)
InChIKeyMKSIYCASMUEVND-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.92
Rot. Bonds7

About 2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide

2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide (PubChem CID 66915735) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide
PubChem CID66915735
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide
SMILESCOc1ccc2cc(CC(=O)NC(C)CCC(C)C)oc2c1
InChIInChI=1S/C18H25NO3/c1-12(2)5-6-13(3)19-18(20)11-16-9-14-7-8-15(21-4)10-17(14)22-16/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,20)
InChIKeyMKSIYCASMUEVND-UHFFFAOYSA-N
XLogP3.92
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methoxy-1-benzofuran-2-yl)acetamide
CID 173334663
2-(isocyanomethyl)-6-methoxy-1-benzofuran
CID 83483329
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 124759090
2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylhexan-2-yl)propanamide
CID 18134897
N-[(2S)-5-methylhexan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7688955
N-[(2R)-1-hydroxypropan-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 79031134
methyl 4-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethoxy]benzoate
CID 9019633
2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid
CID 117179469
2-[(7-methoxy-2-oxochromene-3-carbonyl)amino]propanedioic acid
CID 20823648
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901969
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 110834177

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide (CID 66915735) is 2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide is COc1ccc2cc(CC(=O)NC(C)CCC(C)C)oc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is MKSIYCASMUEVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12(2)5-6-13(3)19-18(20)11-16-9-14-7-8-15(21-4)10-17(14)22-16/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,20).
What are the key properties of 2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide?
2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide has a molecular weight of 303.40 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-2-yl)-N-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 66915735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).