2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid

C18H21NO7 — CID 120821645

IUPAC2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2cc(OC)c(OC)cc2OC)cc1C(=O)O
InChIInChI=1S/C18H21NO7/c1-5-12-11(18(21)22)7-16(26-12)17(20)19-9-10-6-14(24-3)15(25-4)8-13(10)23-2/h6-8H,5,9H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyRYWFRRWAXZSDIB-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.50
Rot. Bonds8

About 2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid

2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 120821645) has the molecular formula C18H21NO7 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
PubChem CID120821645
Molecular FormulaC18H21NO7
Molecular Weight363.37 g/mol
Exact Mass363.13
IUPAC Name2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2cc(OC)c(OC)cc2OC)cc1C(=O)O
InChIInChI=1S/C18H21NO7/c1-5-12-11(18(21)22)7-16(26-12)17(20)19-9-10-6-14(24-3)15(25-4)8-13(10)23-2/h6-8H,5,9H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyRYWFRRWAXZSDIB-UHFFFAOYSA-N
XLogP2.50
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120820753
2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821415
2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822184
5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821790
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821000
2-ethyl-5-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822737
2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid
CID 120820781
2-ethyl-5-(2-methylsulfanylpropylcarbamoyl)furan-3-carboxylic acid
CID 120822640
2-ethyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]furan-3-carboxylic acid
CID 120822190
2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822565
2-hydroxy-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18116275

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid (CID 120821645) is 2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NCc2cc(OC)c(OC)cc2OC)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is RYWFRRWAXZSDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO7/c1-5-12-11(18(21)22)7-16(26-12)17(20)19-9-10-6-14(24-3)15(25-4)8-13(10)23-2/h6-8H,5,9H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 363.37 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).