5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid

C18H21NO6 — CID 120821790

IUPAC5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCOc1cc(CNC(=O)c2cc(C(=O)O)c(CC)o2)ccc1OC
InChIInChI=1S/C18H21NO6/c1-4-13-12(18(21)22)9-16(25-13)17(20)19-10-11-6-7-14(23-3)15(8-11)24-5-2/h6-9H,4-5,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeySTQOVSBBDLCOEK-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.88
Rot. Bonds8

About 5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid

5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120821790) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120821790
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCOc1cc(CNC(=O)c2cc(C(=O)O)c(CC)o2)ccc1OC
InChIInChI=1S/C18H21NO6/c1-4-13-12(18(21)22)9-16(25-13)17(20)19-10-11-6-7-14(23-3)15(8-11)24-5-2/h6-9H,4-5,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeySTQOVSBBDLCOEK-UHFFFAOYSA-N
XLogP2.88
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821415
2-ethyl-5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120820753
2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821645
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid
CID 120820781
2-ethyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]furan-3-carboxylic acid
CID 120822190
2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 119781593
3-[(3-ethoxy-4-methoxyphenyl)methylcarbamoylamino]propanoic acid
CID 122002229
2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid
CID 154805734
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822564

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120821790) is 5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid is CCOc1cc(CNC(=O)c2cc(C(=O)O)c(CC)o2)ccc1OC.
What is the InChIKey of 5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is STQOVSBBDLCOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-4-13-12(18(21)22)9-16(25-13)17(20)19-10-11-6-7-14(23-3)15(8-11)24-5-2/h6-9H,4-5,10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 347.37 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120821790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).