5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid

C19H21NO4 — CID 119246168

IUPAC5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCC(C)c1ccc(C2CC2C(=O)NCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C19H21NO4/c1-11(2)12-3-5-13(6-4-12)15-9-16(15)18(21)20-10-14-7-8-17(24-14)19(22)23/h3-8,11,15-16H,9-10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFVSRWIQCDPTZCS-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.52
Rot. Bonds6

About 5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 119246168) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
PubChem CID119246168
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCC(C)c1ccc(C2CC2C(=O)NCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C19H21NO4/c1-11(2)12-3-5-13(6-4-12)15-9-16(15)18(21)20-10-14-7-8-17(24-14)19(22)23/h3-8,11,15-16H,9-10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFVSRWIQCDPTZCS-UHFFFAOYSA-N
XLogP3.52
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119246233
N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119500317
5-[[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]methyl]furan-2-carboxylic acid
CID 119245936
trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 129377935
N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119495241
5-[[[(1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 90653945
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110280040
5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 129467906
N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 126820381
3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550612
5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid
CID 119245737
5-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 22680377

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid (CID 119246168) is 5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid is CC(C)c1ccc(C2CC2C(=O)NCc2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is FVSRWIQCDPTZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-11(2)12-3-5-13(6-4-12)15-9-16(15)18(21)20-10-14-7-8-17(24-14)19(22)23/h3-8,11,15-16H,9-10H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119246168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).