N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C20H29NO4 — CID 134029690

IUPACN-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCOCCOCCCNC(=O)Cc1coc2cc(C)c(C(C)C)cc12
InChIInChI=1S/C20H29NO4/c1-14(2)17-12-18-16(13-25-19(18)10-15(17)3)11-20(22)21-6-5-7-24-9-8-23-4/h10,12-14H,5-9,11H2,1-4H3,(H,21,22)
InChIKeyILGSVURYZBYMJZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.58
Rot. Bonds10

About N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 134029690) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
PubChem CID134029690
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCOCCOCCCNC(=O)Cc1coc2cc(C)c(C(C)C)cc12
InChIInChI=1S/C20H29NO4/c1-14(2)17-12-18-16(13-25-19(18)10-15(17)3)11-20(22)21-6-5-7-24-9-8-23-4/h10,12-14H,5-9,11H2,1-4H3,(H,21,22)
InChIKeyILGSVURYZBYMJZ-UHFFFAOYSA-N
XLogP3.58
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 78783686
methyl 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]acetate
CID 18159169
N-[(4-methoxyphenyl)methyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3330142
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]acetamide
CID 95321206
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 18168407
N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 35518370
N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 18082511
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide
CID 60600916
N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 29292447
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-ethoxypropyl)acetamide
CID 29292252
N-(4-chlorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3952241
N-[4-[[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 38128775

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 134029690) is N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is COCCOCCCNC(=O)Cc1coc2cc(C)c(C(C)C)cc12.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The InChIKey is ILGSVURYZBYMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-14(2)17-12-18-16(13-25-19(18)10-15(17)3)11-20(22)21-6-5-7-24-9-8-23-4/h10,12-14H,5-9,11H2,1-4H3,(H,21,22).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 134029690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).