[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate

C26H25NO6 — CID 42970439

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
SMILESCOc1ccc(C(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C26H25NO6/c1-31-20-13-14-21(24(16-20)32-2)23(28)17-33-26(30)22(15-18-9-5-3-6-10-18)27-25(29)19-11-7-4-8-12-19/h3-14,16,22H,15,17H2,1-2H3,(H,27,29)
InChIKeyLUKLIOMCBUZYEM-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.47
Rot. Bonds10

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate (PubChem CID 42970439) has the molecular formula C26H25NO6 and a molecular weight of 447.49 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
PubChem CID42970439
Molecular FormulaC26H25NO6
Molecular Weight447.49 g/mol
Exact Mass447.17
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
SMILESCOc1ccc(C(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C26H25NO6/c1-31-20-13-14-21(24(16-20)32-2)23(28)17-33-26(30)22(15-18-9-5-3-6-10-18)27-25(29)19-11-7-4-8-12-19/h3-14,16,22H,15,17H2,1-2H3,(H,27,29)
InChIKeyLUKLIOMCBUZYEM-UHFFFAOYSA-N
XLogP3.47
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 55935826
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 46605778
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
[2-(4-methylphenyl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 3513552
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 2663411
[2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate
CID 7371261
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 55306241
phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40796590
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate
CID 2520644
[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 42979328
[2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2340919

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate (CID 42970439) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate is COc1ccc(C(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
The InChIKey is LUKLIOMCBUZYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO6/c1-31-20-13-14-21(24(16-20)32-2)23(28)17-33-26(30)22(15-18-9-5-3-6-10-18)27-25(29)19-11-7-4-8-12-19/h3-14,16,22H,15,17H2,1-2H3,(H,27,29).
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate has a molecular weight of 447.49 g/mol, XLogP of 3.47, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 42970439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).