2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid

C20H25NO5 — CID 119248557

IUPAC2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid
SMILESCc1cc2occ(CC(=O)N3CCOC(CC(=O)O)C3)c2cc1C(C)C
InChIInChI=1S/C20H25NO5/c1-12(2)16-9-17-14(11-26-18(17)6-13(16)3)7-19(22)21-4-5-25-15(10-21)8-20(23)24/h6,9,11-12,15H,4-5,7-8,10H2,1-3H3,(H,23,24)
InChIKeyKBUQEXSCALMFKM-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.11
Rot. Bonds5

About 2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid

2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid (PubChem CID 119248557) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is 2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid
PubChem CID119248557
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid
SMILESCc1cc2occ(CC(=O)N3CCOC(CC(=O)O)C3)c2cc1C(C)C
InChIInChI=1S/C20H25NO5/c1-12(2)16-9-17-14(11-26-18(17)6-13(16)3)7-19(22)21-4-5-25-15(10-21)8-20(23)24/h6,9,11-12,15H,4-5,7-8,10H2,1-3H3,(H,23,24)
InChIKeyKBUQEXSCALMFKM-UHFFFAOYSA-N
XLogP3.11
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid with MolForge

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Related Compounds

1-[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 99783135
1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 56537953
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3924611
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 60607197
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 33461193
1-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 128985521
2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
CID 119247660
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
2-(5,6-dimethyl-1-benzofuran-3-yl)-1-(3-methylpiperazin-1-yl)ethanone
CID 119576743
2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 120527813
2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 55339010

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid (CID 119248557) is 2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid is Cc1cc2occ(CC(=O)N3CCOC(CC(=O)O)C3)c2cc1C(C)C.
What is the InChIKey of 2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid?
The InChIKey is KBUQEXSCALMFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-12(2)16-9-17-14(11-26-18(17)6-13(16)3)7-19(22)21-4-5-25-15(10-21)8-20(23)24/h6,9,11-12,15H,4-5,7-8,10H2,1-3H3,(H,23,24).
What are the key properties of 2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid?
2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid has a molecular weight of 359.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).