N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide

C20H23NO4 — CID 122144052

IUPACN-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide
SMILESCC(CC(=O)c1ccco1)NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H23NO4/c1-15(14-17(22)18-8-5-11-25-18)21-19(23)20(9-12-24-13-10-20)16-6-3-2-4-7-16/h2-8,11,15H,9-10,12-14H2,1H3,(H,21,23)
InChIKeyQBXWIOXNDGIECU-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.11
Rot. Bonds6

About N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide

N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide (PubChem CID 122144052) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide
PubChem CID122144052
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide
SMILESCC(CC(=O)c1ccco1)NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H23NO4/c1-15(14-17(22)18-8-5-11-25-18)21-19(23)20(9-12-24-13-10-20)16-6-3-2-4-7-16/h2-8,11,15H,9-10,12-14H2,1H3,(H,21,23)
InChIKeyQBXWIOXNDGIECU-UHFFFAOYSA-N
XLogP3.11
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 95639214
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
N-benzhydryl-4-phenyloxane-4-carboxamide
CID 27456066
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
N-[2-(methylamino)propyl]-4-phenyloxane-4-carboxamide;hydrochloride
CID 120832802
4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 42648874
4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide
CID 95149227
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023
N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 133202792
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-phenyloxane-4-carboxamide
CID 129417065
N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 120505049
N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide
CID 115661895

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide (CID 122144052) is N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide is CC(CC(=O)c1ccco1)NC(=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide?
The InChIKey is QBXWIOXNDGIECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15(14-17(22)18-8-5-11-25-18)21-19(23)20(9-12-24-13-10-20)16-6-3-2-4-7-16/h2-8,11,15H,9-10,12-14H2,1H3,(H,21,23).
What are the key properties of N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide?
N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 122144052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).