methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate

C16H24N2O5 — CID 108891767

IUPACmethyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
SMILESCCOc1ccc(CCNC(=O)NCCC(=O)OC)cc1OC
InChIInChI=1S/C16H24N2O5/c1-4-23-13-6-5-12(11-14(13)21-2)7-9-17-16(20)18-10-8-15(19)22-3/h5-6,11H,4,7-10H2,1-3H3,(H2,17,18,20)
InChIKeyCKAOOGXKHMPWRV-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.50
Rot. Bonds9

About methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate

methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate (PubChem CID 108891767) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
PubChem CID108891767
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Namemethyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
SMILESCCOc1ccc(CCNC(=O)NCCC(=O)OC)cc1OC
InChIInChI=1S/C16H24N2O5/c1-4-23-13-6-5-12(11-14(13)21-2)7-9-17-16(20)18-10-8-15(19)22-3/h5-6,11H,4,7-10H2,1-3H3,(H2,17,18,20)
InChIKeyCKAOOGXKHMPWRV-UHFFFAOYSA-N
XLogP1.50
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
6-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]hexanoic acid
CID 108891543
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891611
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 3705348
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate?
The IUPAC name of methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate (CID 108891767) is methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate.
What is the SMILES notation for methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate?
The canonical SMILES for methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate is CCOc1ccc(CCNC(=O)NCCC(=O)OC)cc1OC.
What is the InChIKey of methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate?
The InChIKey is CKAOOGXKHMPWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-4-23-13-6-5-12(11-14(13)21-2)7-9-17-16(20)18-10-8-15(19)22-3/h5-6,11H,4,7-10H2,1-3H3,(H2,17,18,20).
What are the key properties of methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate?
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate has a molecular weight of 324.38 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate is sourced from PubChem (CID 108891767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).