4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C19H20N2O5 — CID 120673294

IUPAC4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cccc(NC(=O)C2CCC(C(=O)O)CC2)c1)c1ccoc1
InChIInChI=1S/C19H20N2O5/c22-17(12-4-6-13(7-5-12)19(24)25)20-15-2-1-3-16(10-15)21-18(23)14-8-9-26-11-14/h1-3,8-13H,4-7H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeySGXHTXHDIOQJKF-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.36
Rot. Bonds5

About 4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673294) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673294
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cccc(NC(=O)C2CCC(C(=O)O)CC2)c1)c1ccoc1
InChIInChI=1S/C19H20N2O5/c22-17(12-4-6-13(7-5-12)19(24)25)20-15-2-1-3-16(10-15)21-18(23)14-8-9-26-11-14/h1-3,8-13H,4-7H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeySGXHTXHDIOQJKF-UHFFFAOYSA-N
XLogP3.36
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078447
N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119761839
cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065453
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 30089718
N-[3-(furan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 63204289
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
sodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 166237694
N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide
CID 46578980
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide
CID 113397917

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120673294) is 4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(Nc1cccc(NC(=O)C2CCC(C(=O)O)CC2)c1)c1ccoc1.
What is the InChIKey of 4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is SGXHTXHDIOQJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-17(12-4-6-13(7-5-12)19(24)25)20-15-2-1-3-16(10-15)21-18(23)14-8-9-26-11-14/h1-3,8-13H,4-7H2,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).