2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide

C15H27NO2 — CID 103895397

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
SMILESCC(C)(O)C(C)(C)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C15H27NO2/c1-14(2,15(3,4)18)16-13(17)9-12-8-10-5-6-11(12)7-10/h10-12,18H,5-9H2,1-4H3,(H,16,17)
InChIKeySLOPOVWSMHHBLT-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.48
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide (PubChem CID 103895397) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
PubChem CID103895397
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
SMILESCC(C)(O)C(C)(C)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C15H27NO2/c1-14(2,15(3,4)18)16-13(17)9-12-8-10-5-6-11(12)7-10/h10-12,18H,5-9H2,1-4H3,(H,16,17)
InChIKeySLOPOVWSMHHBLT-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103890790
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 11923510
2-[(2R)-2-bicyclo[2.2.1]heptanyl]-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]acetamide
CID 58363507
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
2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide
CID 155621422
N-(2-amino-4,4-dimethylpentyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 107158527
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide
CID 107156893
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide (CID 103895397) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide is CC(C)(O)C(C)(C)NC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
The InChIKey is SLOPOVWSMHHBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2,15(3,4)18)16-13(17)9-12-8-10-5-6-11(12)7-10/h10-12,18H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide has a molecular weight of 253.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide is sourced from PubChem (CID 103895397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).