2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid

C17H19NO5 — CID 120821415

IUPAC2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2ccc(C)c(OC)c2)cc1C(=O)O
InChIInChI=1S/C17H19NO5/c1-4-13-12(17(20)21)8-15(23-13)16(19)18-9-11-6-5-10(2)14(7-11)22-3/h5-8H,4,9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyPWODDGNKHYFOCP-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.79
Rot. Bonds6

About 2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid

2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 120821415) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid
PubChem CID120821415
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2ccc(C)c(OC)c2)cc1C(=O)O
InChIInChI=1S/C17H19NO5/c1-4-13-12(17(20)21)8-15(23-13)16(19)18-9-11-6-5-10(2)14(7-11)22-3/h5-8H,4,9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyPWODDGNKHYFOCP-UHFFFAOYSA-N
XLogP2.79
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821790
2-ethyl-5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120820753
2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822184
2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821645
5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821000
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
2-ethyl-5-[3-(2-methylphenoxy)propylcarbamoyl]furan-3-carboxylic acid
CID 120821672
2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid
CID 154805734
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
5-[[[2-(3-methoxy-4-methylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226664
2-ethyl-5-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822737

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid (CID 120821415) is 2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NCc2ccc(C)c(OC)c2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is PWODDGNKHYFOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-4-13-12(17(20)21)8-15(23-13)16(19)18-9-11-6-5-10(2)14(7-11)22-3/h5-8H,4,9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 317.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).