[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

C23H25NO5 — CID 7902191

IUPAC[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCC[C@@H](C)c1ccc(NC(=O)COC(=O)Cc2coc3cc(OC)ccc23)cc1
InChIInChI=1S/C23H25NO5/c1-4-15(2)16-5-7-18(8-6-16)24-22(25)14-29-23(26)11-17-13-28-21-12-19(27-3)9-10-20(17)21/h5-10,12-13,15H,4,11,14H2,1-3H3,(H,24,25)/t15-/m1/s1
InChIKeyWNOMMFAKKFSILC-OAHLLOKOSA-N
MW395.46 g/mol
LogP4.68
Rot. Bonds8

About [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 7902191) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID7902191
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCC[C@@H](C)c1ccc(NC(=O)COC(=O)Cc2coc3cc(OC)ccc23)cc1
InChIInChI=1S/C23H25NO5/c1-4-15(2)16-5-7-18(8-6-16)24-22(25)14-29-23(26)11-17-13-28-21-12-19(27-3)9-10-20(17)21/h5-10,12-13,15H,4,11,14H2,1-3H3,(H,24,25)/t15-/m1/s1
InChIKeyWNOMMFAKKFSILC-OAHLLOKOSA-N
XLogP4.68
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525277
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807175
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4857170
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901969
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705633
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902197
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538621
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4841640
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525331
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4210410

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 7902191) is [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is CC[C@@H](C)c1ccc(NC(=O)COC(=O)Cc2coc3cc(OC)ccc23)cc1.
What is the InChIKey of [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is WNOMMFAKKFSILC-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25NO5/c1-4-15(2)16-5-7-18(8-6-16)24-22(25)14-29-23(26)11-17-13-28-21-12-19(27-3)9-10-20(17)21/h5-10,12-13,15H,4,11,14H2,1-3H3,(H,24,25)/t15-/m1/s1.
What are the key properties of [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 395.46 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7902191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).