2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide

C12H21NO3 — CID 66177065

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCC(O)CO
InChIInChI=1S/C12H21NO3/c14-7-11(15)6-13-12(16)5-10-4-8-1-2-9(10)3-8/h8-11,14-15H,1-7H2,(H,13,16)
InChIKeyXFQVKELKPPUPJC-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.28
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide (PubChem CID 66177065) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide
PubChem CID66177065
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCC(O)CO
InChIInChI=1S/C12H21NO3/c14-7-11(15)6-13-12(16)5-10-4-8-1-2-9(10)3-8/h8-11,14-15H,1-7H2,(H,13,16)
InChIKeyXFQVKELKPPUPJC-UHFFFAOYSA-N
XLogP0.28
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-2-hydroxybutyl]acetamide
CID 126836505
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide
CID 71924916
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102449
N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 66176464
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-bromo-3-methoxypropyl)acetamide
CID 114310041
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide
CID 107156893
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-phenylpropanoic acid
CID 119254834
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide
CID 43133583
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 18558210
2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
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-(2,3-dihydroxypropyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide (CID 66177065) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide is O=C(CC1CC2CCC1C2)NCC(O)CO.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide?
The InChIKey is XFQVKELKPPUPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-7-11(15)6-13-12(16)5-10-4-8-1-2-9(10)3-8/h8-11,14-15H,1-7H2,(H,13,16).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide has a molecular weight of 227.30 g/mol, XLogP of 0.28, 5 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-(2,3-dihydroxypropyl)acetamide is sourced from PubChem (CID 66177065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).