5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide

C28H34N2O3 — CID 5298274

IUPAC5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C28H34N2O3/c31-26(29-21-6-2-1-3-7-21)22-8-4-5-9-23(22)30-27(32)24-10-11-25(33-24)28-15-18-12-19(16-28)14-20(13-18)17-28/h4-5,8-11,18-21H,1-3,6-7,12-17H2,(H,29,31)(H,30,32)
InChIKeyRGBCJZRXHUFQKX-UHFFFAOYSA-N
MW446.59 g/mol
LogP6.06
Rot. Bonds5

About 5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide

5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 5298274) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is 5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID5298274
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Name5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C28H34N2O3/c31-26(29-21-6-2-1-3-7-21)22-8-4-5-9-23(22)30-27(32)24-10-11-25(33-24)28-15-18-12-19(16-28)14-20(13-18)17-28/h4-5,8-11,18-21H,1-3,6-7,12-17H2,(H,29,31)(H,30,32)
InChIKeyRGBCJZRXHUFQKX-UHFFFAOYSA-N
XLogP6.06
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]adamantane-1-carboxamide
CID 54787541
N-[2-(cyclopentylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 17442222
N-[2-(cyclopropylcarbamoyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 29353067
N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 17421584
N-[2-(cyclohexylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922643
N-cyclohexyl-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515269
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178227
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657
N-cyclohexyl-2-[(2-ethoxybenzoyl)amino]benzamide
CID 4926381
N-[2-(cyclohexylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 100720174

Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide (CID 5298274) is 5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is RGBCJZRXHUFQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c31-26(29-21-6-2-1-3-7-21)22-8-4-5-9-23(22)30-27(32)24-10-11-25(33-24)28-15-18-12-19(16-28)14-20(13-18)17-28/h4-5,8-11,18-21H,1-3,6-7,12-17H2,(H,29,31)(H,30,32).
What are the key properties of 5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide?
5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 446.59 g/mol, XLogP of 6.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-N-[2-(cyclohexylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 5298274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).