N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide

C19H23NO3 — CID 47091747

IUPACN-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide
SMILESCC(CCC1CCCO1)NC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(9-10-16-8-5-12-22-16)20-19(21)18-17(11-13-23-18)15-6-3-2-4-7-15/h2-4,6-7,11,13-14,16H,5,8-10,12H2,1H3,(H,20,21)
InChIKeyAPVKFVRTMLXBGY-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.02
Rot. Bonds6

About N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide

N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide (PubChem CID 47091747) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide
PubChem CID47091747
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide
SMILESCC(CCC1CCCO1)NC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(9-10-16-8-5-12-22-16)20-19(21)18-17(11-13-23-18)15-6-3-2-4-7-15/h2-4,6-7,11,13-14,16H,5,8-10,12H2,1H3,(H,20,21)
InChIKeyAPVKFVRTMLXBGY-UHFFFAOYSA-N
XLogP4.02
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-phenylfuran-2-carboxamide
CID 94798688
N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenylfuran-2-carboxamide
CID 30895473
N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide
CID 94800701
N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide
CID 97247610
2-N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]furan-2,5-dicarboxamide
CID 97086861
N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820916
N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820918
3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide
CID 94820204
6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide
CID 51131195
4,6-dimethyl-2-oxo-N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-1H-pyridine-3-carboxamide
CID 95906136
(2S,3R)-2-methyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 124733118
4-oxo-N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 99793491

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide?
The IUPAC name of N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide (CID 47091747) is N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide is CC(CCC1CCCO1)NC(=O)c1occc1-c1ccccc1.
What is the InChIKey of N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide?
The InChIKey is APVKFVRTMLXBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(9-10-16-8-5-12-22-16)20-19(21)18-17(11-13-23-18)15-6-3-2-4-7-15/h2-4,6-7,11,13-14,16H,5,8-10,12H2,1H3,(H,20,21).
What are the key properties of N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide?
N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 47091747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).