2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide

C17H30N2O — CID 43179826

IUPAC2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide
SMILESCC(NCC(=O)NC1CCCCC1)C1CC2CCC1C2
InChIInChI=1S/C17H30N2O/c1-12(16-10-13-7-8-14(16)9-13)18-11-17(20)19-15-5-3-2-4-6-15/h12-16,18H,2-11H2,1H3,(H,19,20)
InChIKeyOQWHJIYCHDXAFQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.85
Rot. Bonds5

About 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide

2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide (PubChem CID 43179826) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide
PubChem CID43179826
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide
SMILESCC(NCC(=O)NC1CCCCC1)C1CC2CCC1C2
InChIInChI=1S/C17H30N2O/c1-12(16-10-13-7-8-14(16)9-13)18-11-17(20)19-15-5-3-2-4-6-15/h12-16,18H,2-11H2,1H3,(H,19,20)
InChIKeyOQWHJIYCHDXAFQ-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 43179794
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide
CID 60641272
N-cyclohexyl-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 103902052
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60648644
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-cycloheptylacetamide
CID 63683149
N-cycloheptyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 62573821
(2R)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoic acid
CID 83194051
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-cyclohexylpropanamide
CID 98329878
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide
CID 43179815
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-[4-(diethylamino)phenyl]acetamide
CID 4839986
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide
CID 103604103

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide (CID 43179826) is 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide is CC(NCC(=O)NC1CCCCC1)C1CC2CCC1C2.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide?
The InChIKey is OQWHJIYCHDXAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(16-10-13-7-8-14(16)9-13)18-11-17(20)19-15-5-3-2-4-6-15/h12-16,18H,2-11H2,1H3,(H,19,20).
What are the key properties of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide?
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide has a molecular weight of 278.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 43179826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).