ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate

C19H21NO5 — CID 974922

IUPACethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21NO5/c1-3-24-19(22)14-4-6-15(7-5-14)20-18(21)12-13-25-17-10-8-16(23-2)9-11-17/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyRCNLRHYYGQLDNL-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.28
Rot. Bonds8

About ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate

ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate (PubChem CID 974922) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate
PubChem CID974922
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Nameethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21NO5/c1-3-24-19(22)14-4-6-15(7-5-14)20-18(21)12-13-25-17-10-8-16(23-2)9-11-17/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyRCNLRHYYGQLDNL-UHFFFAOYSA-N
XLogP3.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057
propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802763
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222883
methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate
CID 108802931
ethyl 4-[acetyl-[3-(4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 113133372
ethyl 4-[4-(4-nitrophenoxy)butanoylamino]benzoate
CID 142721835
2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
CID 7654087
N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
CID 110678384
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180961
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
ethyl 4-[[3-[2-(4-methoxyphenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948861

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate?
The IUPAC name of ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate (CID 974922) is ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate.
What is the SMILES notation for ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate?
The canonical SMILES for ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)CCOc2ccc(OC)cc2)cc1.
What is the InChIKey of ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate?
The InChIKey is RCNLRHYYGQLDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-3-24-19(22)14-4-6-15(7-5-14)20-18(21)12-13-25-17-10-8-16(23-2)9-11-17/h4-11H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate?
ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate has a molecular weight of 343.38 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 974922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).