2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide

C16H29NO2 — CID 103941108

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)(C)C(CCO)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C16H29NO2/c1-16(2,3)14(6-7-18)17-15(19)10-13-9-11-4-5-12(13)8-11/h11-14,18H,4-10H2,1-3H3,(H,17,19)
InChIKeyUUXOIJFRGFPCQM-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.73
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (PubChem CID 103941108) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
PubChem CID103941108
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)(C)C(CCO)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C16H29NO2/c1-16(2,3)14(6-7-18)17-15(19)10-13-9-11-4-5-12(13)8-11/h11-14,18H,4-10H2,1-3H3,(H,17,19)
InChIKeyUUXOIJFRGFPCQM-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103940908
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-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799359
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-4-methoxybutan-2-yl)acetamide
CID 114211440
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid
CID 43630318
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide
CID 63931263
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103895397
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-(2-chloro-4,4-dimethylpentyl)acetamide
CID 107156893
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103890790

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (CID 103941108) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is CC(C)(C)C(CCO)NC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The InChIKey is UUXOIJFRGFPCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2,3)14(6-7-18)17-15(19)10-13-9-11-4-5-12(13)8-11/h11-14,18H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide has a molecular weight of 267.41 g/mol, XLogP of 2.73, 5 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-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is sourced from PubChem (CID 103941108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).