N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide

C16H30N2O3 — CID 115613726

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CCO)CC(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C16H30N2O3/c1-12(15-10-13-3-4-14(15)9-13)17-16(20)11-18(5-7-19)6-8-21-2/h12-15,19H,3-11H2,1-2H3,(H,17,20)
InChIKeyXNLCCKQOBTWTKV-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.87
Rot. Bonds9

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide (PubChem CID 115613726) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
PubChem CID115613726
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CCO)CC(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C16H30N2O3/c1-12(15-10-13-3-4-14(15)9-13)17-16(20)11-18(5-7-19)6-8-21-2/h12-15,19H,3-11H2,1-2H3,(H,17,20)
InChIKeyXNLCCKQOBTWTKV-UHFFFAOYSA-N
XLogP0.87
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685686
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 129429061
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114
methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-4-oxobutanoate
CID 108808723
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137772
2-[[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912678
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 110881340
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
CID 86908931
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54924868

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide (CID 115613726) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide is COCCN(CCO)CC(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide?
The InChIKey is XNLCCKQOBTWTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(15-10-13-3-4-14(15)9-13)17-16(20)11-18(5-7-19)6-8-21-2/h12-15,19H,3-11H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide has a molecular weight of 298.43 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 115613726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).