N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide

C22H36N2O2 — CID 18557473

IUPACN-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CC1CCCCC1)N(CCN1CCOCC1)C[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C22H36N2O2/c25-22(16-18-4-2-1-3-5-18)24(9-8-23-10-12-26-13-11-23)17-21-15-19-6-7-20(21)14-19/h6-7,18-21H,1-5,8-17H2/t19-,20+,21+/m0/s1
InChIKeyYZKCFGMDTXZWPW-PWRODBHTSA-N
MW360.54 g/mol
LogP3.33
Rot. Bonds7

About N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide

N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 18557473) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID18557473
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC NameN-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CC1CCCCC1)N(CCN1CCOCC1)C[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C22H36N2O2/c25-22(16-18-4-2-1-3-5-18)24(9-8-23-10-12-26-13-11-23)17-21-15-19-6-7-20(21)14-19/h6-7,18-21H,1-5,8-17H2/t19-,20+,21+/m0/s1
InChIKeyYZKCFGMDTXZWPW-PWRODBHTSA-N
XLogP3.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide
CID 42700952
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 11921796
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42700974
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide
CID 18557463
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 42709163
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 42700955
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
4-(cyclohexylmethyl)morpholine
CID 641545
1-cyclohexyl-5-morpholin-4-ylpentane-2-thione
CID 148714641
1-[(1R,2S)-2-[[amino(2-morpholin-4-ylethyl)amino]methyl]cyclohexyl]ethanone
CID 144603338
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide
CID 18558083
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide
CID 11922761

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide (CID 18557473) is N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide is O=C(CC1CCCCC1)N(CCN1CCOCC1)C[C@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is YZKCFGMDTXZWPW-PWRODBHTSA-N. The full InChI is InChI=1S/C22H36N2O2/c25-22(16-18-4-2-1-3-5-18)24(9-8-23-10-12-26-13-11-23)17-21-15-19-6-7-20(21)14-19/h6-7,18-21H,1-5,8-17H2/t19-,20+,21+/m0/s1.
What are the key properties of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide?
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 360.54 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 18557473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).