ethyl 4-(3-methoxypropanoylamino)benzoate

C13H17NO4 — CID 62590057

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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Related Compounds

ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate
CID 974922
ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
CID 119672462
ethyl 4-(4-methylpentanoylamino)benzoate
CID 43404103
ethyl 4-(hexadecanoylamino)benzoate
CID 15925750
ethyl 4-(5-hydroxypentanoylamino)benzoate
CID 79199550
ethyl 4-(icosanoylamino)benzoate
CID 4522300
ethyl 4-(3-methylsulfonylpropanoylamino)benzoate
CID 43423779
ethyl 4-[3-(propylamino)propanoylamino]benzoate
CID 109011620
ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237
(2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid
CID 845245
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
ethyl 4-(3-benzamidopropanoylamino)benzoate
CID 8885472

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).