(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone

C16H25NO3 — CID 79560435

IUPAC(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCCCC2CC(C)O)o1
InChIInChI=1S/C16H25NO3/c1-3-14-8-9-15(20-14)16(19)17-10-6-4-5-7-13(17)11-12(2)18/h8-9,12-13,18H,3-7,10-11H2,1-2H3
InChIKeyPWUIJCDNGKVZKB-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.00
Rot. Bonds4

About (5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone

(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone (PubChem CID 79560435) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
PubChem CID79560435
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCCCC2CC(C)O)o1
InChIInChI=1S/C16H25NO3/c1-3-14-8-9-15(20-14)16(19)17-10-6-4-5-7-13(17)11-12(2)18/h8-9,12-13,18H,3-7,10-11H2,1-2H3
InChIKeyPWUIJCDNGKVZKB-UHFFFAOYSA-N
XLogP3.00
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 79560605
(5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472230
[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 79539295
(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028614
3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 129367512
N-[[1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 51079365
methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate
CID 93436463
(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone
CID 115642379
[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 116639926
(3,5-dihydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107704806
(2-chlorofuran-3-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 112748131
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 79552839

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone?
The IUPAC name of (5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone (CID 79560435) is (5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone?
The canonical SMILES for (5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone is CCc1ccc(C(=O)N2CCCCCC2CC(C)O)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone?
The InChIKey is PWUIJCDNGKVZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-14-8-9-15(20-14)16(19)17-10-6-4-5-7-13(17)11-12(2)18/h8-9,12-13,18H,3-7,10-11H2,1-2H3.
What are the key properties of (5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone?
(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone has a molecular weight of 279.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone is sourced from PubChem (CID 79560435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).