ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate

C21H30N2O6 — CID 84561912

IUPACethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)CCN(C(=O)COc1ccccc1OC)C1CC1
InChIInChI=1S/C21H30N2O6/c1-4-28-21(26)12-13-22(2)19(24)11-14-23(16-9-10-16)20(25)15-29-18-8-6-5-7-17(18)27-3/h5-8,16H,4,9-15H2,1-3H3
InChIKeyRMELZWXTFGNBEI-UHFFFAOYSA-N
MW406.48 g/mol
LogP1.87
Rot. Bonds12

About ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate

ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate (PubChem CID 84561912) has the molecular formula C21H30N2O6 and a molecular weight of 406.48 g/mol. Its IUPAC name is ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate
PubChem CID84561912
Molecular FormulaC21H30N2O6
Molecular Weight406.48 g/mol
Exact Mass406.21
IUPAC Nameethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)CCN(C(=O)COc1ccccc1OC)C1CC1
InChIInChI=1S/C21H30N2O6/c1-4-28-21(26)12-13-22(2)19(24)11-14-23(16-9-10-16)20(25)15-29-18-8-6-5-7-17(18)27-3/h5-8,16H,4,9-15H2,1-3H3
InChIKeyRMELZWXTFGNBEI-UHFFFAOYSA-N
XLogP1.87
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate
CID 19384713
N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84561909
N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide
CID 84561868
N-cyclopropyl-N-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-2-(2-methoxyphenoxy)acetamide
CID 84561918
1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide
CID 84565797
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-pentylpropanamide
CID 84565149
N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide
CID 84561908
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide
CID 84565814
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
N-cyclopropyl-2-(2-methoxyphenoxy)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 84561838
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide
CID 84565960

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate?
The IUPAC name of ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate (CID 84561912) is ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate?
The canonical SMILES for ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate is CCOC(=O)CCN(C)C(=O)CCN(C(=O)COc1ccccc1OC)C1CC1.
What is the InChIKey of ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate?
The InChIKey is RMELZWXTFGNBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O6/c1-4-28-21(26)12-13-22(2)19(24)11-14-23(16-9-10-16)20(25)15-29-18-8-6-5-7-17(18)27-3/h5-8,16H,4,9-15H2,1-3H3.
What are the key properties of ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate?
ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate has a molecular weight of 406.48 g/mol, XLogP of 1.87, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate is sourced from PubChem (CID 84561912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).