2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid

C15H17NO4 — CID 70984722

IUPAC2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid
SMILESCC1=C(C)C(C(=O)O)C(C)(NC(=O)c2ccccc2)O1
InChIInChI=1S/C15H17NO4/c1-9-10(2)20-15(3,12(9)14(18)19)16-13(17)11-7-5-4-6-8-11/h4-8,12H,1-3H3,(H,16,17)(H,18,19)
InChIKeyUWUAEOFSCQGOGI-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.16
Rot. Bonds3

About 2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid

2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid (PubChem CID 70984722) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid.

Molecular Properties

Compound Name2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid
PubChem CID70984722
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid
SMILESCC1=C(C)C(C(=O)O)C(C)(NC(=O)c2ccccc2)O1
InChIInChI=1S/C15H17NO4/c1-9-10(2)20-15(3,12(9)14(18)19)16-13(17)11-7-5-4-6-8-11/h4-8,12H,1-3H3,(H,16,17)(H,18,19)
InChIKeyUWUAEOFSCQGOGI-UHFFFAOYSA-N
XLogP2.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzamido-4-methylcyclohexyl)carbamic acid
CID 156534206
(4R,5R)-5-(benzoylcarbamoyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 25018901
N-methylbenzamide
CID 11954
CID 70387554
CID 70387554
N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide
CID 11138618
N'-benzoyl-5-methylthiophene-2-carbohydrazide
CID 4808936
N-[(2S,6R,8S,12R)-7-methyl-3,5,9,11-tetraoxo-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-1-yl]benzamide
CID 12022149
N-(3-methylpyrazol-3-yl)benzamide
CID 155144899
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595
1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone
CID 11393425
N'-benzoyl-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
CID 2981414

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid?
The IUPAC name of 2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid (CID 70984722) is 2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid.
What is the SMILES notation for 2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid?
The canonical SMILES for 2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid is CC1=C(C)C(C(=O)O)C(C)(NC(=O)c2ccccc2)O1.
What is the InChIKey of 2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid?
The InChIKey is UWUAEOFSCQGOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9-10(2)20-15(3,12(9)14(18)19)16-13(17)11-7-5-4-6-8-11/h4-8,12H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid?
2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-2,4,5-trimethyl-3H-furan-3-carboxylic acid is sourced from PubChem (CID 70984722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).