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

C19H21N3O5 — CID 122078447

IUPAC4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cccc(NC(=O)c2ccoc2)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C19H21N3O5/c23-17(13-8-9-27-11-13)20-15-2-1-3-16(10-15)22-19(26)21-14-6-4-12(5-7-14)18(24)25/h1-3,8-12,14H,4-7H2,(H,20,23)(H,24,25)(H2,21,22,26)
InChIKeyUHIZNPXDXRSYPL-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.30
Rot. Bonds5

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

4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122078447) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122078447
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cccc(NC(=O)c2ccoc2)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C19H21N3O5/c23-17(13-8-9-27-11-13)20-15-2-1-3-16(10-15)22-19(26)21-14-6-4-12(5-7-14)18(24)25/h1-3,8-12,14H,4-7H2,(H,20,23)(H,24,25)(H2,21,22,26)
InChIKeyUHIZNPXDXRSYPL-UHFFFAOYSA-N
XLogP3.30
TPSA120.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673294
N-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide
CID 167962915
N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119761839
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
4-[[3-(difluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078754
4-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183412
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
N-cyclopropylfuran-3-carboxamide
CID 60698418
1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea
CID 55696964
cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320365
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122078447) is 4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(Nc1cccc(NC(=O)c2ccoc2)c1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is UHIZNPXDXRSYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c23-17(13-8-9-27-11-13)20-15-2-1-3-16(10-15)22-19(26)21-14-6-4-12(5-7-14)18(24)25/h1-3,8-12,14H,4-7H2,(H,20,23)(H,24,25)(H2,21,22,26).
What are the key properties of 4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122078447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).