2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid

C20H23NO6 — CID 120821321

IUPAC2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)Nc2ccc(C)cc2OCC2CCCO2)cc1C(=O)O
InChIInChI=1S/C20H23NO6/c1-3-16-14(20(23)24)10-18(27-16)19(22)21-15-7-6-12(2)9-17(15)26-11-13-5-4-8-25-13/h6-7,9-10,13H,3-5,8,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyRAWSANMFUQQSMN-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.66
Rot. Bonds7

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

2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 120821321) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid
PubChem CID120821321
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)Nc2ccc(C)cc2OCC2CCCO2)cc1C(=O)O
InChIInChI=1S/C20H23NO6/c1-3-16-14(20(23)24)10-18(27-16)19(22)21-15-7-6-12(2)9-17(15)26-11-13-5-4-8-25-13/h6-7,9-10,13H,3-5,8,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyRAWSANMFUQQSMN-UHFFFAOYSA-N
XLogP3.66
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
CID 129466833
2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid
CID 120821113
4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119182039
4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 119300251
N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-5-nitrofuran-2-carboxamide
CID 94646470
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 166192418
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95259007
3-methyl-1-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077719
5-methyl-2-(oxan-2-ylmethoxy)benzoic acid
CID 55025159
7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
CID 119743232

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid (CID 120821321) is 2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)Nc2ccc(C)cc2OCC2CCCO2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is RAWSANMFUQQSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-3-16-14(20(23)24)10-18(27-16)19(22)21-15-7-6-12(2)9-17(15)26-11-13-5-4-8-25-13/h6-7,9-10,13H,3-5,8,11H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).