N-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide

C34H46N2O — CID 77149714

IUPACN-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide
SMILESO=C(NC1CCC2CN(C(c3ccccc3)c3ccccc3)CC21)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C34H46N2O/c37-34(32(25-13-5-1-6-14-25)26-15-7-2-8-16-26)35-31-22-21-29-23-36(24-30(29)31)33(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h3-4,9-12,17-20,25-26,29-33H,1-2,5-8,13-16,21-24H2,(H,35,37)
InChIKeyMIGSRRQGCYFALE-UHFFFAOYSA-N
MW498.76 g/mol
LogP7.38
Rot. Bonds7

About N-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide

N-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide (PubChem CID 77149714) has the molecular formula C34H46N2O and a molecular weight of 498.76 g/mol. Its IUPAC name is N-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide.

Molecular Properties

Compound NameN-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide
PubChem CID77149714
Molecular FormulaC34H46N2O
Molecular Weight498.76 g/mol
Exact Mass498.36
IUPAC NameN-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide
SMILESO=C(NC1CCC2CN(C(c3ccccc3)c3ccccc3)CC21)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C34H46N2O/c37-34(32(25-13-5-1-6-14-25)26-15-7-2-8-16-26)35-31-22-21-29-23-36(24-30(29)31)33(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h3-4,9-12,17-20,25-26,29-33H,1-2,5-8,13-16,21-24H2,(H,35,37)
InChIKeyMIGSRRQGCYFALE-UHFFFAOYSA-N
XLogP7.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.76
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
[(2S)-1-[[(3aS,4R,6aR)-2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-4,6,6-trimethyl-1-oxoheptan-2-yl]-methylcarbamic acid
CID 66591008
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
[(3aR,4S,6aS)-2-(2,2-dimethyl-1-phenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamic acid
CID 66590516
N-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide
CID 75150631
N-[(3aR,4S,6aS)-2-[(2,6-dimethylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide
CID 46213554
N-[(3aS,4R,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2,2-diphenylacetamide
CID 66590302
(2S)-N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-(3-benzoylphenyl)propanamide
CID 46213430
phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate
CID 142651449
N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide
CID 71666506
(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone
CID 131875139
N-[(3aR,4S,6aS)-2-(pyridin-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide
CID 46213112

Frequently Asked Questions

What is the IUPAC name of N-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide?
The IUPAC name of N-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide (CID 77149714) is N-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide.
What is the SMILES notation for N-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide?
The canonical SMILES for N-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide is O=C(NC1CCC2CN(C(c3ccccc3)c3ccccc3)CC21)C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide?
The InChIKey is MIGSRRQGCYFALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N2O/c37-34(32(25-13-5-1-6-14-25)26-15-7-2-8-16-26)35-31-22-21-29-23-36(24-30(29)31)33(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h3-4,9-12,17-20,25-26,29-33H,1-2,5-8,13-16,21-24H2,(H,35,37).
What are the key properties of N-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide?
N-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide has a molecular weight of 498.76 g/mol, XLogP of 7.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydryl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamide is sourced from PubChem (CID 77149714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).