N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide

C24H28N2O3 — CID 26285211

IUPACN-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H28N2O3/c27-22(19-3-5-20(6-4-19)26-23(28)21-2-1-9-29-21)25-8-7-24-13-16-10-17(14-24)12-18(11-16)15-24/h1-6,9,16-18H,7-8,10-15H2,(H,25,27)(H,26,28)
InChIKeyRFTIYUOGWLJVCR-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.87
Rot. Bonds6

About N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide

N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 26285211) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID26285211
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H28N2O3/c27-22(19-3-5-20(6-4-19)26-23(28)21-2-1-9-29-21)25-8-7-24-13-16-10-17(14-24)12-18(11-16)15-24/h1-6,9,16-18H,7-8,10-15H2,(H,25,27)(H,26,28)
InChIKeyRFTIYUOGWLJVCR-UHFFFAOYSA-N
XLogP4.87
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-adamantyl)ethyl]-4-bromobenzamide
CID 2919468
N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide
CID 2918721
N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17397396
N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide
CID 106852949
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 111445635
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide
CID 18286681
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902
N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 17407524

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide (CID 26285211) is N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is RFTIYUOGWLJVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-22(19-3-5-20(6-4-19)26-23(28)21-2-1-9-29-21)25-8-7-24-13-16-10-17(14-24)12-18(11-16)15-24/h1-6,9,16-18H,7-8,10-15H2,(H,25,27)(H,26,28).
What are the key properties of N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 26285211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).