[2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium

C24H37N2O+ — CID 7188171

IUPAC[2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
SMILESCC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H36N2O/c1-23(2)18-14-15-24(3,16-18)22(23)25-17-21(27)26(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4,6-7,10-11,18,20,22,25H,5,8-9,12-17H2,1-3H3/p+1/t18-,22+,24+/m1/s1
InChIKeyUESVZIGYWSMKFB-OUOWLKGYSA-O
MW369.57 g/mol
LogP4.13
Rot. Bonds5

About [2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium

[2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium (PubChem CID 7188171) has the molecular formula C24H37N2O+ and a molecular weight of 369.57 g/mol. Its IUPAC name is [2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium.

Molecular Properties

Compound Name[2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
PubChem CID7188171
Molecular FormulaC24H37N2O+
Molecular Weight369.57 g/mol
Exact Mass369.29
IUPAC Name[2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
SMILESCC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H36N2O/c1-23(2)18-14-15-24(3,16-18)22(23)25-17-21(27)26(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4,6-7,10-11,18,20,22,25H,5,8-9,12-17H2,1-3H3/p+1/t18-,22+,24+/m1/s1
InChIKeyUESVZIGYWSMKFB-OUOWLKGYSA-O
XLogP4.13
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.57
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium with MolForge

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Related Compounds

N-[2-(N-cyclohexylanilino)-2-oxoethyl]-1,3,3-trimethyl-N-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 22251150
N-(benzenesulfonyl)-N-[2-(N-cyclohexylanilino)-2-oxoethyl]-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 22251138
[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772439
1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid
CID 90738858
N-cyclohexyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 6993214
N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 7266331
N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
CID 102017753
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
N-cyclohexyl-N-phenyl-2-piperidin-4-ylacetamide
CID 174812391
[2-(N-cyclohexylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9050143
(2R)-2-chloro-N-cyclohexyl-N-phenylpropanamide
CID 97357253
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate
CID 7695229

Frequently Asked Questions

What is the IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium?
The IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium (CID 7188171) is [2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium.
What is the SMILES notation for [2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium?
The canonical SMILES for [2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium is CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of [2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium?
The InChIKey is UESVZIGYWSMKFB-OUOWLKGYSA-O. The full InChI is InChI=1S/C24H36N2O/c1-23(2)18-14-15-24(3,16-18)22(23)25-17-21(27)26(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4,6-7,10-11,18,20,22,25H,5,8-9,12-17H2,1-3H3/p+1/t18-,22+,24+/m1/s1.
What are the key properties of [2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium?
[2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium has a molecular weight of 369.57 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium is sourced from PubChem (CID 7188171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).