ethyl 3-(2-propylpentanoylamino)benzoate

C17H25NO3 — CID 2227827

IUPACethyl 3-(2-propylpentanoylamino)benzoate
SMILESCCCC(CCC)C(=O)Nc1cccc(C(=O)OCC)c1
InChIInChI=1S/C17H25NO3/c1-4-8-13(9-5-2)16(19)18-15-11-7-10-14(12-15)17(20)21-6-3/h7,10-13H,4-6,8-9H2,1-3H3,(H,18,19)
InChIKeyUHVWOYHTWKHBSX-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.02
Rot. Bonds8

About ethyl 3-(2-propylpentanoylamino)benzoate

ethyl 3-(2-propylpentanoylamino)benzoate (PubChem CID 2227827) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 3-(2-propylpentanoylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(2-propylpentanoylamino)benzoate
PubChem CID2227827
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 3-(2-propylpentanoylamino)benzoate
SMILESCCCC(CCC)C(=O)Nc1cccc(C(=O)OCC)c1
InChIInChI=1S/C17H25NO3/c1-4-8-13(9-5-2)16(19)18-15-11-7-10-14(12-15)17(20)21-6-3/h7,10-13H,4-6,8-9H2,1-3H3,(H,18,19)
InChIKeyUHVWOYHTWKHBSX-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-propylpentanoylamino)benzoate?
The IUPAC name of ethyl 3-(2-propylpentanoylamino)benzoate (CID 2227827) is ethyl 3-(2-propylpentanoylamino)benzoate.
What is the SMILES notation for ethyl 3-(2-propylpentanoylamino)benzoate?
The canonical SMILES for ethyl 3-(2-propylpentanoylamino)benzoate is CCCC(CCC)C(=O)Nc1cccc(C(=O)OCC)c1.
What is the InChIKey of ethyl 3-(2-propylpentanoylamino)benzoate?
The InChIKey is UHVWOYHTWKHBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-8-13(9-5-2)16(19)18-15-11-7-10-14(12-15)17(20)21-6-3/h7,10-13H,4-6,8-9H2,1-3H3,(H,18,19).
What are the key properties of ethyl 3-(2-propylpentanoylamino)benzoate?
ethyl 3-(2-propylpentanoylamino)benzoate has a molecular weight of 291.39 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-propylpentanoylamino)benzoate is sourced from PubChem (CID 2227827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).