5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid

C18H21NO5 — CID 120821000

IUPAC5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCOCc1ccc(CNC(=O)c2cc(C(=O)O)c(CC)o2)cc1
InChIInChI=1S/C18H21NO5/c1-3-15-14(18(21)22)9-16(24-15)17(20)19-10-12-5-7-13(8-6-12)11-23-4-2/h5-9H,3-4,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyZOEQJZWGELTXRX-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.01
Rot. Bonds8

About 5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid

5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120821000) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120821000
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCOCc1ccc(CNC(=O)c2cc(C(=O)O)c(CC)o2)cc1
InChIInChI=1S/C18H21NO5/c1-3-15-14(18(21)22)9-16(24-15)17(20)19-10-12-5-7-13(8-6-12)11-23-4-2/h5-9H,3-4,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyZOEQJZWGELTXRX-UHFFFAOYSA-N
XLogP3.01
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822184
2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid
CID 120822531
5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821790
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-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821645
2-ethyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]furan-3-carboxylic acid
CID 120822190
2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
CID 120821091
2-ethyl-5-[2-(4-methylphenoxy)propylcarbamoyl]furan-3-carboxylic acid
CID 120821076
5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822057
5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822081

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120821000) is 5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid is CCOCc1ccc(CNC(=O)c2cc(C(=O)O)c(CC)o2)cc1.
What is the InChIKey of 5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is ZOEQJZWGELTXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-3-15-14(18(21)22)9-16(24-15)17(20)19-10-12-5-7-13(8-6-12)11-23-4-2/h5-9H,3-4,10-11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120821000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).