N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide

C23H26N2O3 — CID 71089626

IUPACN-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NC3C4CC5CC3CC(C(N)=O)(C5)C4)o2)cc1
InChIInChI=1S/C23H26N2O3/c1-13-2-4-15(5-3-13)18-6-7-19(28-18)21(26)25-20-16-8-14-9-17(20)12-23(10-14,11-16)22(24)27/h2-7,14,16-17,20H,8-12H2,1H3,(H2,24,27)(H,25,26)
InChIKeyAQZJXTYUENKGJE-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.67
Rot. Bonds4

About N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide

N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide (PubChem CID 71089626) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide
PubChem CID71089626
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NC3C4CC5CC3CC(C(N)=O)(C5)C4)o2)cc1
InChIInChI=1S/C23H26N2O3/c1-13-2-4-15(5-3-13)18-6-7-19(28-18)21(26)25-20-16-8-14-9-17(20)12-23(10-14,11-16)22(24)27/h2-7,14,16-17,20H,8-12H2,1H3,(H2,24,27)(H,25,26)
InChIKeyAQZJXTYUENKGJE-UHFFFAOYSA-N
XLogP3.67
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,3S)-5-carbamoyl-2-adamantyl]-5-(2-chlorophenyl)-1-methylpyrrole-2-carboxamide
CID 71479373
4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide
CID 118049701
N-(5-carbamoyl-2-adamantyl)-5-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 71089637
N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide
CID 15978646
(3R,5S)-4-[[1-(4-methylphenyl)cyclopropanecarbonyl]amino]adamantane-1-carboxylic acid
CID 11537663
(3S,5R)-4-[[2-methyl-2-(4-pyridin-3-ylphenyl)propanoyl]amino]adamantane-1-carboxamide
CID 11654625
4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118035085
4-[[1-[methyl-(4-phenylphenyl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 71543048
N-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide
CID 71089720
4-[[1-[(2-fluorobenzoyl)amino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118035157
5-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylpyrazole
CID 118035089
(3R,5S)-4-[[2-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propanoyl]amino]adamantane-1-carboxamide
CID 11531574

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide (CID 71089626) is N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)NC3C4CC5CC3CC(C(N)=O)(C5)C4)o2)cc1.
What is the InChIKey of N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide?
The InChIKey is AQZJXTYUENKGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-13-2-4-15(5-3-13)18-6-7-19(28-18)21(26)25-20-16-8-14-9-17(20)12-23(10-14,11-16)22(24)27/h2-7,14,16-17,20H,8-12H2,1H3,(H2,24,27)(H,25,26).
What are the key properties of N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide?
N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 71089626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).