5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid

C16H17NO4 — CID 129466583

IUPAC5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)O)o2)cc1C
InChIInChI=1S/C16H17NO4/c1-9-4-5-12(8-10(9)2)11(3)17-15(18)13-6-7-14(21-13)16(19)20/h4-8,11H,1-3H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyLBUQOJQIWZYRGT-LLVKDONJSA-N
MW287.31 g/mol
LogP3.09
Rot. Bonds4

About 5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid

5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid (PubChem CID 129466583) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid
PubChem CID129466583
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)O)o2)cc1C
InChIInChI=1S/C16H17NO4/c1-9-4-5-12(8-10(9)2)11(3)17-15(18)13-6-7-14(21-13)16(19)20/h4-8,11H,1-3H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyLBUQOJQIWZYRGT-LLVKDONJSA-N
XLogP3.09
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-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

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 40635729
N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230643
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 94013989
4-[[1-(3,4-dimethylphenyl)ethylcarbamoylamino]methyl]benzoic acid
CID 122017519
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid
CID 59356740
N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2970413
5-[[(1S)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]carbamoyl]furan-2-carboxylic acid
CID 129466504
4-[1-(3,4-dimethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672658
5-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42850708
N-[1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 4878419
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 2452836

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid (CID 129466583) is 5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid is Cc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)O)o2)cc1C.
What is the InChIKey of 5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid?
The InChIKey is LBUQOJQIWZYRGT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17NO4/c1-9-4-5-12(8-10(9)2)11(3)17-15(18)13-6-7-14(21-13)16(19)20/h4-8,11H,1-3H3,(H,17,18)(H,19,20)/t11-/m1/s1.
What are the key properties of 5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid?
5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 129466583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).