methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate

C20H24N2O5 — CID 55473296

IUPACmethyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H24N2O5/c1-25-17-9-6-14(12-18(17)26-2)10-11-21-20(24)22-13-15-4-7-16(8-5-15)19(23)27-3/h4-9,12H,10-11,13H2,1-3H3,(H2,21,22,24)
InChIKeyHUHOZMIRHICTJX-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.53
Rot. Bonds8

About methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate

methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate (PubChem CID 55473296) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate
PubChem CID55473296
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namemethyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H24N2O5/c1-25-17-9-6-14(12-18(17)26-2)10-11-21-20(24)22-13-15-4-7-16(8-5-15)19(23)27-3/h4-9,12H,10-11,13H2,1-3H3,(H2,21,22,24)
InChIKeyHUHOZMIRHICTJX-UHFFFAOYSA-N
XLogP2.53
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate with MolForge

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Related Compounds

4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoic acid
CID 108891353
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate
CID 34668652
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891349
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
1-[2-(4-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891454
4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]benzoic acid
CID 3713118
methyl 4-[[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]methyl]benzoate
CID 8584099
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38210357
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]propyl]formamide
CID 108891394

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate (CID 55473296) is methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)NCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate?
The InChIKey is HUHOZMIRHICTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-25-17-9-6-14(12-18(17)26-2)10-11-21-20(24)22-13-15-4-7-16(8-5-15)19(23)27-3/h4-9,12H,10-11,13H2,1-3H3,(H2,21,22,24).
What are the key properties of methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate?
methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate has a molecular weight of 372.42 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate is sourced from PubChem (CID 55473296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).