5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid

C15H15NO5 — CID 91688019

IUPAC5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid
SMILESCCC(=O)Nc1ccc(OC)c(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C15H15NO5/c1-3-14(17)16-9-4-5-11(20-2)10(8-9)12-6-7-13(21-12)15(18)19/h4-8H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyNNCUXDLMBFXMFM-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.00
Rot. Bonds5

About 5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid

5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid (PubChem CID 91688019) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid
PubChem CID91688019
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid
SMILESCCC(=O)Nc1ccc(OC)c(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C15H15NO5/c1-3-14(17)16-9-4-5-11(20-2)10(8-9)12-6-7-13(21-12)15(18)19/h4-8H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyNNCUXDLMBFXMFM-UHFFFAOYSA-N
XLogP3.00
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-methoxy-5-(propanoylamino)phenyl]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

5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91687940
N-[4-methoxy-3-[2-methoxy-5-(3-oxobutanoylamino)phenyl]phenyl]-3-oxobutanamide
CID 101275812
5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid
CID 91688493
ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate
CID 95911230
2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide
CID 28676197
N-(4-methoxy-3-nitrophenyl)propanamide
CID 2995377
5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid
CID 91687999
5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 23967867
5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid
CID 91688008
5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91687991
3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28667412
N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28686845

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid (CID 91688019) is 5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid is CCC(=O)Nc1ccc(OC)c(-c2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid?
The InChIKey is NNCUXDLMBFXMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-3-14(17)16-9-4-5-11(20-2)10(8-9)12-6-7-13(21-12)15(18)19/h4-8H,3H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid?
5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 91688019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).