N-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide

C21H36N2O — CID 46213053

IUPACN-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
SMILESO=C(N[C@H]1CC[C@H]2CNC[C@H]21)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H36N2O/c24-21(23-19-12-11-17-13-22-14-18(17)19)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h15-20,22H,1-14H2,(H,23,24)/t17-,18+,19-/m0/s1
InChIKeyLCHOSRIKTHYCQA-OTWHNJEPSA-N
MW332.53 g/mol
LogP3.88
Rot. Bonds4

About N-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide

N-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide (PubChem CID 46213053) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is N-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide.

Molecular Properties

Compound NameN-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
PubChem CID46213053
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC NameN-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
SMILESO=C(N[C@H]1CC[C@H]2CNC[C@H]21)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H36N2O/c24-21(23-19-12-11-17-13-22-14-18(17)19)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h15-20,22H,1-14H2,(H,23,24)/t17-,18+,19-/m0/s1
InChIKeyLCHOSRIKTHYCQA-OTWHNJEPSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide with MolForge

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Related Compounds

N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide
CID 15015135
N-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide
CID 77149714
N-[(3aS,4S,6aR)-2-[(2-fluorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
CID 46213055
N-[(3aS,4R,6aR)-2-[6,6-bis(4-fluorophenyl)hexyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
CID 66590191
2,2-dicyclohexyl-N-ethylacetamide
CID 71067645
N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide
CID 99908294
tert-butyl N-[(7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl]carbamate
CID 22871748
3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid
CID 154998847
2-cyclohexyl-2-hydroxy-N-piperidin-4-ylacetamide
CID 59781162
2-(azetidin-3-yl)-N-cyclopentylpropanamide
CID 116674243
N-cyclohexyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide
CID 66208739
2-acetamido-2-cyclopentyl-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556382

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide?
The IUPAC name of N-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide (CID 46213053) is N-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide.
What is the SMILES notation for N-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide?
The canonical SMILES for N-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide is O=C(N[C@H]1CC[C@H]2CNC[C@H]21)C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide?
The InChIKey is LCHOSRIKTHYCQA-OTWHNJEPSA-N. The full InChI is InChI=1S/C21H36N2O/c24-21(23-19-12-11-17-13-22-14-18(17)19)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h15-20,22H,1-14H2,(H,23,24)/t17-,18+,19-/m0/s1.
What are the key properties of N-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide?
N-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide has a molecular weight of 332.53 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide is sourced from PubChem (CID 46213053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).