methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate

C20H21ClN2O5 — CID 55781822

IUPACmethyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)CCOc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H21ClN2O5/c1-27-20(26)13-22-19(25)11-14-5-7-16(8-6-14)23-18(24)9-10-28-17-4-2-3-15(21)12-17/h2-8,12H,9-11,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyMRXQKVNZCSZQJK-UHFFFAOYSA-N
MW404.85 g/mol
LogP2.58
Rot. Bonds9

About methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate

methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate (PubChem CID 55781822) has the molecular formula C20H21ClN2O5 and a molecular weight of 404.85 g/mol. Its IUPAC name is methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate
PubChem CID55781822
Molecular FormulaC20H21ClN2O5
Molecular Weight404.85 g/mol
Exact Mass404.11
IUPAC Namemethyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)CCOc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H21ClN2O5/c1-27-20(26)13-22-19(25)11-14-5-7-16(8-6-14)23-18(24)9-10-28-17-4-2-3-15(21)12-17/h2-8,12H,9-11,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyMRXQKVNZCSZQJK-UHFFFAOYSA-N
XLogP2.58
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate 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

methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55781667
3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide
CID 55881604
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate
CID 55781621
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
CID 27682247
3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide
CID 166221886
N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55717207
N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112997910
3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide
CID 55766234
3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide
CID 2408222
2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 55805438

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate (CID 55781822) is methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate is COC(=O)CNC(=O)Cc1ccc(NC(=O)CCOc2cccc(Cl)c2)cc1.
What is the InChIKey of methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate?
The InChIKey is MRXQKVNZCSZQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5/c1-27-20(26)13-22-19(25)11-14-5-7-16(8-6-14)23-18(24)9-10-28-17-4-2-3-15(21)12-17/h2-8,12H,9-11,13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate?
methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate has a molecular weight of 404.85 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate is sourced from PubChem (CID 55781822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).