2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide

C17H25NO3 — CID 111481385

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
SMILESCc1ccc(C(C)(O)CNC(=O)CC2CC3CCC2C3)o1
InChIInChI=1S/C17H25NO3/c1-11-3-6-15(21-11)17(2,20)10-18-16(19)9-14-8-12-4-5-13(14)7-12/h3,6,12-14,20H,4-5,7-10H2,1-2H3,(H,18,19)
InChIKeyHRZYWTQAMTYGMM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.74
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide (PubChem CID 111481385) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
PubChem CID111481385
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
SMILESCc1ccc(C(C)(O)CNC(=O)CC2CC3CCC2C3)o1
InChIInChI=1S/C17H25NO3/c1-11-3-6-15(21-11)17(2,20)10-18-16(19)9-14-8-12-4-5-13(14)7-12/h3,6,12-14,20H,4-5,7-10H2,1-2H3,(H,18,19)
InChIKeyHRZYWTQAMTYGMM-UHFFFAOYSA-N
XLogP2.74
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide with MolForge

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Related Compounds

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide
CID 111481019
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51187782
2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481648
2-(1-hydroxycyclopentyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111912231
1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea
CID 96518695
N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111481264
2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide
CID 51160476
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 11915736
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 11923510
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 51146705
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11915183
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide (CID 111481385) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide is Cc1ccc(C(C)(O)CNC(=O)CC2CC3CCC2C3)o1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide?
The InChIKey is HRZYWTQAMTYGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11-3-6-15(21-11)17(2,20)10-18-16(19)9-14-8-12-4-5-13(14)7-12/h3,6,12-14,20H,4-5,7-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide is sourced from PubChem (CID 111481385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).