methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate

C14H20N2O4 — CID 108901083

IUPACmethyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H20N2O4/c1-19-12-5-3-4-11(10-12)6-8-15-14(18)16-9-7-13(17)20-2/h3-5,10H,6-9H2,1-2H3,(H2,15,16,18)
InChIKeyVGUIQCDDDUNZHN-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.10
Rot. Bonds7

About methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate

methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate (PubChem CID 108901083) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
PubChem CID108901083
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H20N2O4/c1-19-12-5-3-4-11(10-12)6-8-15-14(18)16-9-7-13(17)20-2/h3-5,10H,6-9H2,1-2H3,(H2,15,16,18)
InChIKeyVGUIQCDDDUNZHN-UHFFFAOYSA-N
XLogP1.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-hydroxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60602886
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
3-[2-(3-methoxyphenyl)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 107843109
2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
CID 107843133
4-[2-(3-methoxyphenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107855890
1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 23880823
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 112973291
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate
CID 86673951

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate?
The IUPAC name of methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate (CID 108901083) is methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate.
What is the SMILES notation for methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate?
The canonical SMILES for methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate is COC(=O)CCNC(=O)NCCc1cccc(OC)c1.
What is the InChIKey of methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate?
The InChIKey is VGUIQCDDDUNZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-12-5-3-4-11(10-12)6-8-15-14(18)16-9-7-13(17)20-2/h3-5,10H,6-9H2,1-2H3,(H2,15,16,18).
What are the key properties of methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate?
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate has a molecular weight of 280.32 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate is sourced from PubChem (CID 108901083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).