ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate

C21H25NO4 — CID 93487291

IUPACethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C
InChIInChI=1S/C21H25NO4/c1-5-25-21(24)17-11-6-8-12-18(17)22-20(23)15(4)26-19-13-9-7-10-16(19)14(2)3/h6-15H,5H2,1-4H3,(H,22,23)/t15-/m1/s1
InChIKeyPZWODQWIQVPLKM-OAHLLOKOSA-N
MW355.43 g/mol
LogP4.39
Rot. Bonds7

About ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate

ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate (PubChem CID 93487291) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
PubChem CID93487291
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Nameethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C
InChIInChI=1S/C21H25NO4/c1-5-25-21(24)17-11-6-8-12-18(17)22-20(23)15(4)26-19-13-9-7-10-16(19)14(2)3/h6-15H,5H2,1-4H3,(H,22,23)/t15-/m1/s1
InChIKeyPZWODQWIQVPLKM-OAHLLOKOSA-N
XLogP4.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 93487292
ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate
CID 92685092
(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194
ethyl 2-[[(2S)-2-(2,4,5-trichlorophenoxy)propanoyl]amino]benzoate
CID 1019527
ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 108500401
ethyl 4-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 94018798
ethyl 3-chloro-4-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 99957135
N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide
CID 43875587
ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate
CID 17034409
ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 42069343
ethyl 2-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]benzoate
CID 2969501

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate (CID 93487291) is ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C.
What is the InChIKey of ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate?
The InChIKey is PZWODQWIQVPLKM-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25NO4/c1-5-25-21(24)17-11-6-8-12-18(17)22-20(23)15(4)26-19-13-9-7-10-16(19)14(2)3/h6-15H,5H2,1-4H3,(H,22,23)/t15-/m1/s1.
What are the key properties of ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate?
ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate has a molecular weight of 355.43 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate is sourced from PubChem (CID 93487291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).