methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate

C19H21NO5 — CID 36774109

IUPACmethyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21NO5/c1-23-16-7-9-17(10-8-16)25-13-18(21)20-12-11-14-3-5-15(6-4-14)19(22)24-2/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeySLWONUFIKPQSOF-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.22
Rot. Bonds8

About methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate

methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate (PubChem CID 36774109) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
PubChem CID36774109
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21NO5/c1-23-16-7-9-17(10-8-16)25-13-18(21)20-12-11-14-3-5-15(6-4-14)19(22)24-2/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeySLWONUFIKPQSOF-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]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

2-(4-acetamidophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2461039
methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate
CID 55559807
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
methyl 4-[2-[(2-chloroacetyl)amino]ethyl]benzoate
CID 68756324
methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 24511118
2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 71178550
3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid
CID 45396627
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate
CID 9011270
N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate
CID 7931566
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846555

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate (CID 36774109) is methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate is COC(=O)c1ccc(CCNC(=O)COc2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate?
The InChIKey is SLWONUFIKPQSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-23-16-7-9-17(10-8-16)25-13-18(21)20-12-11-14-3-5-15(6-4-14)19(22)24-2/h3-10H,11-13H2,1-2H3,(H,20,21).
What are the key properties of methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate?
methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate has a molecular weight of 343.38 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate is sourced from PubChem (CID 36774109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).