5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide

C24H23NO3 — CID 16601981

IUPAC5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCC3(c4ccccc4)CCC3)o2)cc1
InChIInChI=1S/C24H23NO3/c1-17(26)18-8-10-19(11-9-18)21-12-13-22(28-21)23(27)25-16-24(14-5-15-24)20-6-3-2-4-7-20/h2-4,6-13H,5,14-16H2,1H3,(H,25,27)
InChIKeyRUDMRGUFDHHIQF-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.00
Rot. Bonds6

About 5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide

5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide (PubChem CID 16601981) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide
PubChem CID16601981
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCC3(c4ccccc4)CCC3)o2)cc1
InChIInChI=1S/C24H23NO3/c1-17(26)18-8-10-19(11-9-18)21-12-13-22(28-21)23(27)25-16-24(14-5-15-24)20-6-3-2-4-7-20/h2-4,6-13H,5,14-16H2,1H3,(H,25,27)
InChIKeyRUDMRGUFDHHIQF-UHFFFAOYSA-N
XLogP5.00
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(methoxymethyl)-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 86918294
5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 18119096
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 134001912
5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145659
3-(methoxymethyl)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 51316458
2-(5-acetyl-2-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128277
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide
CID 41412635
methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate
CID 134001978

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide (CID 16601981) is 5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)NCC3(c4ccccc4)CCC3)o2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide?
The InChIKey is RUDMRGUFDHHIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-17(26)18-8-10-19(11-9-18)21-12-13-22(28-21)23(27)25-16-24(14-5-15-24)20-6-3-2-4-7-20/h2-4,6-13H,5,14-16H2,1H3,(H,25,27).
What are the key properties of 5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide?
5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 16601981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).