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Ethyl 4-(3-methoxypropanoylamino)benzoate

C13H17NO4 — CID 62590057

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 4-(3-methoxypropanoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCOC)cc1
InChIInChI=1S/C13H17NO4/c1-3-18-13(16)10-4-6-11(7-5-10)14-12(15)8-9-17-2/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyYGBMMZHPZFELMU-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.84
Rot. Bonds6

About Ethyl 4-(3-methoxypropanoylamino)benzoate

Ethyl 4-(3-methoxypropanoylamino)benzoate (PubChem CID 62590057) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 4-(3-methoxypropanoylamino)benzoate.

Molecular Properties

Compound NameEthyl 4-(3-methoxypropanoylamino)benzoate
PubChem CID62590057
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameethyl 4-(3-methoxypropanoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCOC)cc1
InChIInChI=1S/C13H17NO4/c1-3-18-13(16)10-4-6-11(7-5-10)14-12(15)8-9-17-2/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyYGBMMZHPZFELMU-UHFFFAOYSA-N
XLogP1.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Ethyl 4-(3-methoxypropanoylamino)benzoate?
The IUPAC name of Ethyl 4-(3-methoxypropanoylamino)benzoate (CID 62590057) is ethyl 4-(3-methoxypropanoylamino)benzoate.
What is the SMILES notation for Ethyl 4-(3-methoxypropanoylamino)benzoate?
The canonical SMILES for Ethyl 4-(3-methoxypropanoylamino)benzoate is CCOC(=O)c1ccc(NC(=O)CCOC)cc1.
What is the InChIKey of Ethyl 4-(3-methoxypropanoylamino)benzoate?
The InChIKey is YGBMMZHPZFELMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-18-13(16)10-4-6-11(7-5-10)14-12(15)8-9-17-2/h4-7H,3,8-9H2,1-2H3,(H,14,15).
What are the key properties of Ethyl 4-(3-methoxypropanoylamino)benzoate?
Ethyl 4-(3-methoxypropanoylamino)benzoate has a molecular weight of 251.28 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 4-(3-methoxypropanoylamino)benzoate is sourced from PubChem (CID 62590057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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