3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate

C20H22NO7- — CID 3511694

IUPAC3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
SMILESCOc1ccc(C(CC(=O)[O-])NC(=O)COc2ccccc2OC)cc1OC
InChIInChI=1S/C20H23NO7/c1-25-15-6-4-5-7-17(15)28-12-19(22)21-14(11-20(23)24)13-8-9-16(26-2)18(10-13)27-3/h4-10,14H,11-12H2,1-3H3,(H,21,22)(H,23,24)/p-1
InChIKeyXNAKUPIIPMZCRR-UHFFFAOYSA-M
MW388.40 g/mol
LogP1.09
Rot. Bonds10

About 3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate

3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate (PubChem CID 3511694) has the molecular formula C20H22NO7- and a molecular weight of 388.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
PubChem CID3511694
Molecular FormulaC20H22NO7-
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC Name3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
SMILESCOc1ccc(C(CC(=O)[O-])NC(=O)COc2ccccc2OC)cc1OC
InChIInChI=1S/C20H23NO7/c1-25-15-6-4-5-7-17(15)28-12-19(22)21-14(11-20(23)24)13-8-9-16(26-2)18(10-13)27-3/h4-10,14H,11-12H2,1-3H3,(H,21,22)(H,23,24)/p-1
InChIKeyXNAKUPIIPMZCRR-UHFFFAOYSA-M
XLogP1.09
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate with MolForge

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Related Compounds

3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate
CID 3465786
(3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 7045109
(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 7045097
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 6926087
3-(3,4-dimethoxyphenyl)-3-[[2-(2-fluorophenoxy)acetyl]amino]propanoic acid
CID 45432854
3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 3466163
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide
CID 99993393
methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 18121206
methyl (3R)-3-(4-fluorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 51967900
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-fluorobenzoyl)amino]propanoate
CID 6926618
3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3992171

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate (CID 3511694) is 3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate is COc1ccc(C(CC(=O)[O-])NC(=O)COc2ccccc2OC)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate?
The InChIKey is XNAKUPIIPMZCRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H23NO7/c1-25-15-6-4-5-7-17(15)28-12-19(22)21-14(11-20(23)24)13-8-9-16(26-2)18(10-13)27-3/h4-10,14H,11-12H2,1-3H3,(H,21,22)(H,23,24)/p-1.
What are the key properties of 3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate?
3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate has a molecular weight of 388.40 g/mol, XLogP of 1.09, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 3511694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).