2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid

C21H21NO3 — CID 162418980

IUPAC2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid
SMILESCN(CCC(C(=O)O)(c1ccccc1)c1ccco1)c1ccccc1
InChIInChI=1S/C21H21NO3/c1-22(18-11-6-3-7-12-18)15-14-21(20(23)24,19-13-8-16-25-19)17-9-4-2-5-10-17/h2-13,16H,14-15H2,1H3,(H,23,24)
InChIKeyXEDDBYJNFRFGFQ-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.18
Rot. Bonds7

About 2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid

2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid (PubChem CID 162418980) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid
PubChem CID162418980
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid
SMILESCN(CCC(C(=O)O)(c1ccccc1)c1ccco1)c1ccccc1
InChIInChI=1S/C21H21NO3/c1-22(18-11-6-3-7-12-18)15-14-21(20(23)24,19-13-8-16-25-19)17-9-4-2-5-10-17/h2-13,16H,14-15H2,1H3,(H,23,24)
InChIKeyXEDDBYJNFRFGFQ-UHFFFAOYSA-N
XLogP4.18
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic 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

6-[(5-carboxy-5,5-diphenylpentyl)-[2-(dimethylamino)ethyl]amino]-2,2-diphenylhexanoic acid
CID 170636634
methyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate
CID 141403344
1-(furan-2-yl)-1-phenylpropan-1-ol
CID 63949160
2,2-diphenyl-3-phosphanylpropanoic acid
CID 21269236
1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine
CID 10797840
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide
CID 111672355
6-methyl-2,2-diphenylheptanoic acid
CID 141362939
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea
CID 111335704
2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid
CID 106805637
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid?
The IUPAC name of 2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid (CID 162418980) is 2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid.
What is the SMILES notation for 2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid?
The canonical SMILES for 2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid is CN(CCC(C(=O)O)(c1ccccc1)c1ccco1)c1ccccc1.
What is the InChIKey of 2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid?
The InChIKey is XEDDBYJNFRFGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-22(18-11-6-3-7-12-18)15-14-21(20(23)24,19-13-8-16-25-19)17-9-4-2-5-10-17/h2-13,16H,14-15H2,1H3,(H,23,24).
What are the key properties of 2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid?
2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid has a molecular weight of 335.40 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid is sourced from PubChem (CID 162418980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).