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

C18H20N2O5 — CID 971348

IUPACmethyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-23-15-9-8-12(10-16(15)24-2)11-19-18(22)20-14-7-5-4-6-13(14)17(21)25-3/h4-10H,11H2,1-3H3,(H2,19,20,22)
InChIKeyMMBFWEASPKRKSZ-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.81
Rot. Bonds6

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

methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]benzoate (PubChem CID 971348) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]benzoate
PubChem CID971348
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namemethyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-23-15-9-8-12(10-16(15)24-2)11-19-18(22)20-14-7-5-4-6-13(14)17(21)25-3/h4-10H,11H2,1-3H3,(H2,19,20,22)
InChIKeyMMBFWEASPKRKSZ-UHFFFAOYSA-N
XLogP2.81
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Asengeprast
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1,2-Dihydro-2-(3,4-(methylenedioxy)-phenyl)-4(3H)-quinazolinone
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Avenanthramide E
CID 10245047
N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]acetamide
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2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-2,3-dihydroquinazolin-4(1H)-one
CID 2887735
2-(3,4-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 484122
Benzoic acid, 2-((3-(1,3-benzodioxol-5-yl)-2-methyl-1-propenyl)amino)-, methyl ester
CID 44147575
4-(1-benzyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 15989301

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]benzoate?
The IUPAC name of methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]benzoate (CID 971348) is methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]benzoate?
The canonical SMILES for methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]benzoate is COC(=O)c1ccccc1NC(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]benzoate?
The InChIKey is MMBFWEASPKRKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-23-15-9-8-12(10-16(15)24-2)11-19-18(22)20-14-7-5-4-6-13(14)17(21)25-3/h4-10H,11H2,1-3H3,(H2,19,20,22).
What are the key properties of methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]benzoate?
methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]benzoate has a molecular weight of 344.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]benzoate is sourced from PubChem (CID 971348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).