ethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate

C21H25NO4 — CID 70378818

IUPACethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCNC(=O)c2ccccc2C(C)C)cc1
InChIInChI=1S/C21H25NO4/c1-4-25-21(24)16-9-11-17(12-10-16)26-14-13-22-20(23)19-8-6-5-7-18(19)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyIYEROHHNLVTOGD-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.80
Rot. Bonds8

About ethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate

ethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate (PubChem CID 70378818) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is ethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate
PubChem CID70378818
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Nameethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCNC(=O)c2ccccc2C(C)C)cc1
InChIInChI=1S/C21H25NO4/c1-4-25-21(24)16-9-11-17(12-10-16)26-14-13-22-20(23)19-8-6-5-7-18(19)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyIYEROHHNLVTOGD-UHFFFAOYSA-N
XLogP3.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate?
The IUPAC name of ethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate (CID 70378818) is ethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate is CCOC(=O)c1ccc(OCCNC(=O)c2ccccc2C(C)C)cc1.
What is the InChIKey of ethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate?
The InChIKey is IYEROHHNLVTOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-25-21(24)16-9-11-17(12-10-16)26-14-13-22-20(23)19-8-6-5-7-18(19)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23).
What are the key properties of ethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate?
ethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate has a molecular weight of 355.43 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate is sourced from PubChem (CID 70378818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).