2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide

C16H27NO2 — CID 102866283

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)N(CCCO)C1CCC1
InChIInChI=1S/C16H27NO2/c18-8-2-7-17(15-3-1-4-15)16(19)11-14-10-12-5-6-13(14)9-12/h12-15,18H,1-11H2
InChIKeyKYJRZIPRGNDMQI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.58
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide (PubChem CID 102866283) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
PubChem CID102866283
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)N(CCCO)C1CCC1
InChIInChI=1S/C16H27NO2/c18-8-2-7-17(15-3-1-4-15)16(19)11-14-10-12-5-6-13(14)9-12/h12-15,18H,1-11H2
InChIKeyKYJRZIPRGNDMQI-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
N-cyclobutyl-2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)acetamide
CID 102866471
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-chloroethyl)-N-(2,2-difluoroethyl)acetamide
CID 107491317
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124
N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxyacetamide
CID 102866415
N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 102867055
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-hydroxy-N-methylpentanamide
CID 79199997
N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfonylacetamide
CID 102866191
N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide
CID 102872445
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chlorocyclohexyl)-N-methylacetamide
CID 102638147

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide (CID 102866283) is 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide is O=C(CC1CC2CCC1C2)N(CCCO)C1CCC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide?
The InChIKey is KYJRZIPRGNDMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c18-8-2-7-17(15-3-1-4-15)16(19)11-14-10-12-5-6-13(14)9-12/h12-15,18H,1-11H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide has a molecular weight of 265.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 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-cyclobutyl-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 102866283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).