methyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate

C21H23Cl2NO6 — CID 55685991

IUPACmethyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)C(C)Oc1cccc(Cl)c1Cl)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H23Cl2NO6/c1-12(30-17-7-5-6-14(22)20(17)23)21(26)24-15(11-19(25)29-4)13-8-9-16(27-2)18(10-13)28-3/h5-10,12,15H,11H2,1-4H3,(H,24,26)
InChIKeyZRVDXBNUKWJNHN-UHFFFAOYSA-N
MW456.32 g/mol
LogP4.20
Rot. Bonds9

About methyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate

methyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate (PubChem CID 55685991) has the molecular formula C21H23Cl2NO6 and a molecular weight of 456.32 g/mol. Its IUPAC name is methyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate
PubChem CID55685991
Molecular FormulaC21H23Cl2NO6
Molecular Weight456.32 g/mol
Exact Mass455.09
IUPAC Namemethyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)C(C)Oc1cccc(Cl)c1Cl)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H23Cl2NO6/c1-12(30-17-7-5-6-14(22)20(17)23)21(26)24-15(11-19(25)29-4)13-8-9-16(27-2)18(10-13)28-3/h5-10,12,15H,11H2,1-4H3,(H,24,26)
InChIKeyZRVDXBNUKWJNHN-UHFFFAOYSA-N
XLogP4.20
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate with MolForge

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Related Compounds

N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 133160157
N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132652272
methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate
CID 134043484
methyl 3-(3,4-dimethoxyphenyl)-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoate
CID 55440558
(2S)-2-(2,3-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 7372385
methyl 3-(4-aminopentanoylamino)-3-(3,4-dimethoxyphenyl)propanoate
CID 120559435
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 133166359
2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659513
3-(2-acetamidopropanoylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 119167083
methyl 3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55440587
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
methyl 3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55440930

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate?
The IUPAC name of methyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate (CID 55685991) is methyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate?
The canonical SMILES for methyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate is COC(=O)CC(NC(=O)C(C)Oc1cccc(Cl)c1Cl)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate?
The InChIKey is ZRVDXBNUKWJNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2NO6/c1-12(30-17-7-5-6-14(22)20(17)23)21(26)24-15(11-19(25)29-4)13-8-9-16(27-2)18(10-13)28-3/h5-10,12,15H,11H2,1-4H3,(H,24,26).
What are the key properties of methyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate?
methyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate has a molecular weight of 456.32 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate is sourced from PubChem (CID 55685991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).