ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate

C20H25NO3 — CID 139608521

IUPACethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C20H25NO3/c1-4-24-20(22)18-7-5-6-8-19(18)21-14-15(2)13-16-9-11-17(23-3)12-10-16/h5-12,15,21H,4,13-14H2,1-3H3
InChIKeyHDEUACABEHICET-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.16
Rot. Bonds8

About ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate

ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate (PubChem CID 139608521) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate
PubChem CID139608521
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nameethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C20H25NO3/c1-4-24-20(22)18-7-5-6-8-19(18)21-14-15(2)13-16-9-11-17(23-3)12-10-16/h5-12,15,21H,4,13-14H2,1-3H3
InChIKeyHDEUACABEHICET-UHFFFAOYSA-N
XLogP4.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-[[(2S)-3-(4-methoxyphenyl)-2-methylpropyl]amino]-2-oxoacetate
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ethyl 2-[[2-(4-methoxyphenyl)-2-methylpropanoyl]amino]benzoate
CID 113197630
ethyl 2-[[2-[2-(4-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
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ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate
CID 110356214
ethyl 2-[[1-[(4-methoxyphenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108976392
2-methylpropyl 2-(2-methylpropylamino)benzoate
CID 19428899
ethyl 2-[[(2S)-2-(4-methoxy-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 1004380
ethyl 2-[[(E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzoate
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CID 109010102

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate?
The IUPAC name of ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate (CID 139608521) is ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate is CCOC(=O)c1ccccc1NCC(C)Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate?
The InChIKey is HDEUACABEHICET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-24-20(22)18-7-5-6-8-19(18)21-14-15(2)13-16-9-11-17(23-3)12-10-16/h5-12,15,21H,4,13-14H2,1-3H3.
What are the key properties of ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate?
ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate has a molecular weight of 327.42 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate is sourced from PubChem (CID 139608521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).