2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

C14H25NO3 — CID 103890790

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCC(CO)(CO)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO3/c1-2-14(8-16,9-17)15-13(18)7-12-6-10-3-4-11(12)5-10/h10-12,16-17H,2-9H2,1H3,(H,15,18)
InChIKeyFGLKXXYIMAJZEA-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.06
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (PubChem CID 103890790) 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-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
PubChem CID103890790
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCC(CO)(CO)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO3/c1-2-14(8-16,9-17)15-13(18)7-12-6-10-3-4-11(12)5-10/h10-12,16-17H,2-9H2,1H3,(H,15,18)
InChIKeyFGLKXXYIMAJZEA-UHFFFAOYSA-N
XLogP1.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103895397
3-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentan-2-one
CID 116592595
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 113434987
1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79558871
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-butylacetamide
CID 78784658
2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103604609
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552
3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one
CID 116610786
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-2-hydroxybutyl]acetamide
CID 126836505
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941108
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-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (CID 103890790) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is CCC(CO)(CO)NC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The InChIKey is FGLKXXYIMAJZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-14(8-16,9-17)15-13(18)7-12-6-10-3-4-11(12)5-10/h10-12,16-17H,2-9H2,1H3,(H,15,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide has a molecular weight of 255.36 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 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-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is sourced from PubChem (CID 103890790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).