[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate

C24H27NO5 — CID 9492543

IUPAC[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCc1ccc(C(C)C)c(OCC(=O)OCC(=O)N[C@H](C)c2cc3ccccc3o2)c1
InChIInChI=1S/C24H27NO5/c1-15(2)19-10-9-16(3)11-22(19)28-14-24(27)29-13-23(26)25-17(4)21-12-18-7-5-6-8-20(18)30-21/h5-12,15,17H,13-14H2,1-4H3,(H,25,26)/t17-/m1/s1
InChIKeyPMVPWMURMMGMAF-QGZVFWFLSA-N
MW409.48 g/mol
LogP4.66
Rot. Bonds8

About [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate

[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate (PubChem CID 9492543) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
PubChem CID9492543
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCc1ccc(C(C)C)c(OCC(=O)OCC(=O)N[C@H](C)c2cc3ccccc3o2)c1
InChIInChI=1S/C24H27NO5/c1-15(2)19-10-9-16(3)11-22(19)28-14-24(27)29-13-23(26)25-17(4)21-12-18-7-5-6-8-20(18)30-21/h5-12,15,17H,13-14H2,1-4H3,(H,25,26)/t17-/m1/s1
InChIKeyPMVPWMURMMGMAF-QGZVFWFLSA-N
XLogP4.66
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate with MolForge

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Related Compounds

[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-4-fluorophenoxy)acetate
CID 8565719
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581736
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 3-methylbenzoate
CID 9290575
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 921036
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 9365848
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924668
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839428
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8841979
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 9342634
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924558
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885990
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] cyclopentanecarboxylate
CID 9202178

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate (CID 9492543) is [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate is Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)N[C@H](C)c2cc3ccccc3o2)c1.
What is the InChIKey of [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The InChIKey is PMVPWMURMMGMAF-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27NO5/c1-15(2)19-10-9-16(3)11-22(19)28-14-24(27)29-13-23(26)25-17(4)21-12-18-7-5-6-8-20(18)30-21/h5-12,15,17H,13-14H2,1-4H3,(H,25,26)/t17-/m1/s1.
What are the key properties of [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate has a molecular weight of 409.48 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 9492543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).