2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide

C19H26N2O4 — CID 71852465

IUPAC2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCCCCC1CC(O)c1ccco1)NCc1ccco1
InChIInChI=1S/C19H26N2O4/c22-17(18-8-5-11-25-18)12-15-6-2-1-3-9-21(15)14-19(23)20-13-16-7-4-10-24-16/h4-5,7-8,10-11,15,17,22H,1-3,6,9,12-14H2,(H,20,23)
InChIKeyKGDYCCVFFBRLMA-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.86
Rot. Bonds7

About 2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 71852465) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID71852465
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCCCCC1CC(O)c1ccco1)NCc1ccco1
InChIInChI=1S/C19H26N2O4/c22-17(18-8-5-11-25-18)12-15-6-2-1-3-9-21(15)14-19(23)20-13-16-7-4-10-24-16/h4-5,7-8,10-11,15,17,22H,1-3,6,9,12-14H2,(H,20,23)
InChIKeyKGDYCCVFFBRLMA-UHFFFAOYSA-N
XLogP2.86
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97078667
2-[(2R)-2-ethylpiperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 94775933
2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 167964277
2-(2-benzylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 42888028
2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 47529832
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
2-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]azepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 95974867
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42926300
N-(furan-2-ylmethyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 53338057
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]acetamide
CID 71920097
5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334180
(1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol
CID 97078677

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 71852465) is 2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CN1CCCCCC1CC(O)c1ccco1)NCc1ccco1.
What is the InChIKey of 2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KGDYCCVFFBRLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-17(18-8-5-11-25-18)12-15-6-2-1-3-9-21(15)14-19(23)20-13-16-7-4-10-24-16/h4-5,7-8,10-11,15,17,22H,1-3,6,9,12-14H2,(H,20,23).
What are the key properties of 2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 71852465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).