2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid

C18H21NO5 — CID 120821113

IUPAC2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCCCOc1cc(C)ccc1NC(=O)c1cc(C(=O)O)c(CC)o1
InChIInChI=1S/C18H21NO5/c1-4-8-23-15-9-11(3)6-7-13(15)19-17(20)16-10-12(18(21)22)14(5-2)24-16/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyQGURAUGAPXWAAH-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.89
Rot. Bonds7

About 2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid

2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 120821113) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid
PubChem CID120821113
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCCCOc1cc(C)ccc1NC(=O)c1cc(C(=O)O)c(CC)o1
InChIInChI=1S/C18H21NO5/c1-4-8-23-15-9-11(3)6-7-13(15)19-17(20)16-10-12(18(21)22)14(5-2)24-16/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyQGURAUGAPXWAAH-UHFFFAOYSA-N
XLogP3.89
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120820558
2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821321
2-chloro-N-(4-methyl-2-propoxyphenyl)furan-3-carboxamide
CID 106685527
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide
CID 60534076
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
2-ethyl-5-[[2-(methoxymethyl)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821047
2-ethyl-5-[3-(2-methylphenoxy)propylcarbamoyl]furan-3-carboxylic acid
CID 120821672
phenyl N-(4-methyl-2-propoxyphenyl)carbamate
CID 61216988
6-(4-methyl-2-propoxyanilino)-6-oxohexanoic acid
CID 60934555
2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 87023490
2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide
CID 112846311

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid (CID 120821113) is 2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid is CCCOc1cc(C)ccc1NC(=O)c1cc(C(=O)O)c(CC)o1.
What is the InChIKey of 2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is QGURAUGAPXWAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-4-8-23-15-9-11(3)6-7-13(15)19-17(20)16-10-12(18(21)22)14(5-2)24-16/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).