N-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide

C24H29NO2 — CID 2915936

IUPACN-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29NO2/c1-15-21(11-22(27-15)20-6-4-3-5-7-20)23(26)25-16(2)24-12-17-8-18(13-24)10-19(9-17)14-24/h3-7,11,16-19H,8-10,12-14H2,1-2H3,(H,25,26)
InChIKeyXYXJKCCYXGAATF-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.59
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide

N-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide (PubChem CID 2915936) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide
PubChem CID2915936
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29NO2/c1-15-21(11-22(27-15)20-6-4-3-5-7-20)23(26)25-16(2)24-12-17-8-18(13-24)10-19(9-17)14-24/h3-7,11,16-19H,8-10,12-14H2,1-2H3,(H,25,26)
InChIKeyXYXJKCCYXGAATF-UHFFFAOYSA-N
XLogP5.59
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide (CID 2915936) is N-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide is Cc1oc(-c2ccccc2)cc1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide?
The InChIKey is XYXJKCCYXGAATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-15-21(11-22(27-15)20-6-4-3-5-7-20)23(26)25-16(2)24-12-17-8-18(13-24)10-19(9-17)14-24/h3-7,11,16-19H,8-10,12-14H2,1-2H3,(H,25,26).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide?
N-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide is sourced from PubChem (CID 2915936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).