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

C18H20N2O4 — CID 4999432

IUPACmethyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)NCCc2cccc(OC)c2)c1
InChIInChI=1S/C18H20N2O4/c1-23-16-8-3-5-13(11-16)9-10-19-18(22)20-15-7-4-6-14(12-15)17(21)24-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20,22)
InChIKeyONTHBRVQBZFMJR-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.85
Rot. Bonds6

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

methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate (PubChem CID 4999432) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate
PubChem CID4999432
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namemethyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)NCCc2cccc(OC)c2)c1
InChIInChI=1S/C18H20N2O4/c1-23-16-8-3-5-13(11-16)9-10-19-18(22)20-15-7-4-6-14(12-15)17(21)24-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20,22)
InChIKeyONTHBRVQBZFMJR-UHFFFAOYSA-N
XLogP2.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901015
N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948719
methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 108990581
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 23880823
methyl 3-[2-[3-(2-pyridin-3-ylethylcarbamoylamino)phenyl]ethynyl]benzoate
CID 86994039
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
methyl 3-[[6-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]benzoate
CID 112861659
1-[2-(3-methoxyphenyl)ethyl]-3-(2-sulfanylphenyl)urea
CID 108886567
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108901083

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate?
The IUPAC name of methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate (CID 4999432) is methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate.
What is the SMILES notation for methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate?
The canonical SMILES for methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate is COC(=O)c1cccc(NC(=O)NCCc2cccc(OC)c2)c1.
What is the InChIKey of methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate?
The InChIKey is ONTHBRVQBZFMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-16-8-3-5-13(11-16)9-10-19-18(22)20-15-7-4-6-14(12-15)17(21)24-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20,22).
What are the key properties of methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate?
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate has a molecular weight of 328.37 g/mol, XLogP of 2.85, 6 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]benzoate is sourced from PubChem (CID 4999432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).