N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide

C27H34N2O — CID 46213365

IUPACN-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide
SMILESO=C(N[C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C27H34N2O/c30-27(26(22-13-7-8-14-22)21-11-5-2-6-12-21)28-25-16-15-23-18-29(19-24(23)25)17-20-9-3-1-4-10-20/h1-6,9-12,22-26H,7-8,13-19H2,(H,28,30)/t23-,24+,25-,26?/m0/s1
InChIKeyBDECLCVAQQPYIA-XMBLLSNASA-N
MW402.58 g/mol
LogP4.99
Rot. Bonds6

About N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide

N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide (PubChem CID 46213365) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide
PubChem CID46213365
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC NameN-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide
SMILESO=C(N[C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C27H34N2O/c30-27(26(22-13-7-8-14-22)21-11-5-2-6-12-21)28-25-16-15-23-18-29(19-24(23)25)17-20-9-3-1-4-10-20/h1-6,9-12,22-26H,7-8,13-19H2,(H,28,30)/t23-,24+,25-,26?/m0/s1
InChIKeyBDECLCVAQQPYIA-XMBLLSNASA-N
XLogP4.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide?
The IUPAC name of N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide (CID 46213365) is N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide.
What is the SMILES notation for N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide?
The canonical SMILES for N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide is O=C(N[C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(c1ccccc1)C1CCCC1.
What is the InChIKey of N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide?
The InChIKey is BDECLCVAQQPYIA-XMBLLSNASA-N. The full InChI is InChI=1S/C27H34N2O/c30-27(26(22-13-7-8-14-22)21-11-5-2-6-12-21)28-25-16-15-23-18-29(19-24(23)25)17-20-9-3-1-4-10-20/h1-6,9-12,22-26H,7-8,13-19H2,(H,28,30)/t23-,24+,25-,26?/m0/s1.
What are the key properties of N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide?
N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide has a molecular weight of 402.58 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide is sourced from PubChem (CID 46213365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).