2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide

C14H25NO3 — CID 103799359

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
SMILESCOCC(CCO)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO3/c1-18-9-13(4-5-16)15-14(17)8-12-7-10-2-3-11(12)6-10/h10-13,16H,2-9H2,1H3,(H,15,17)
InChIKeyCIXUJPQJBIVNIB-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.33
Rot. Bonds7

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide (PubChem CID 103799359) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
PubChem CID103799359
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
SMILESCOCC(CCO)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO3/c1-18-9-13(4-5-16)15-14(17)8-12-7-10-2-3-11(12)6-10/h10-13,16H,2-9H2,1H3,(H,15,17)
InChIKeyCIXUJPQJBIVNIB-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide
CID 114211440
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 98679471
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 98679474
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941108
2-cyclopentyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799597
N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 106242862
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide
CID 106245316
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-bromo-3-methoxypropyl)acetamide
CID 114310041
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid
CID 43630318
1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one
CID 105116960
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide
CID 114305540
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 63261025

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide (CID 103799359) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide is COCC(CCO)NC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
The InChIKey is CIXUJPQJBIVNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-18-9-13(4-5-16)15-14(17)8-12-7-10-2-3-11(12)6-10/h10-13,16H,2-9H2,1H3,(H,15,17).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide has a molecular weight of 255.36 g/mol, XLogP of 1.33, 7 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-(4-hydroxy-1-methoxybutan-2-yl)acetamide is sourced from PubChem (CID 103799359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).