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

C26H32N2O — CID 46213301

IUPACN-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(N[C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1(c2ccccc2)CCCC1
InChIInChI=1S/C26H32N2O/c29-25(26(15-7-8-16-26)22-11-5-2-6-12-22)27-24-14-13-21-18-28(19-23(21)24)17-20-9-3-1-4-10-20/h1-6,9-12,21,23-24H,7-8,13-19H2,(H,27,29)/t21-,23+,24-/m0/s1
InChIKeyYWLPOMABNWHGEJ-QTJGBDASSA-N
MW388.55 g/mol
LogP4.53
Rot. Bonds5

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

N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 46213301) has the molecular formula C26H32N2O and a molecular weight of 388.55 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]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1-phenylcyclopentane-1-carboxamide
PubChem CID46213301
Molecular FormulaC26H32N2O
Molecular Weight388.55 g/mol
Exact Mass388.25
IUPAC NameN-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(N[C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1(c2ccccc2)CCCC1
InChIInChI=1S/C26H32N2O/c29-25(26(15-7-8-16-26)22-11-5-2-6-12-22)27-24-14-13-21-18-28(19-23(21)24)17-20-9-3-1-4-10-20/h1-6,9-12,21,23-24H,7-8,13-19H2,(H,27,29)/t21-,23+,24-/m0/s1
InChIKeyYWLPOMABNWHGEJ-QTJGBDASSA-N
XLogP4.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.53
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]-1-phenylcyclopentane-1-carboxamide 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]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1-phenylcyclopentane-1-carboxamide (CID 46213301) is N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1-phenylcyclopentane-1-carboxamide.
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]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1-phenylcyclopentane-1-carboxamide is O=C(N[C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is YWLPOMABNWHGEJ-QTJGBDASSA-N. The full InChI is InChI=1S/C26H32N2O/c29-25(26(15-7-8-16-26)22-11-5-2-6-12-22)27-24-14-13-21-18-28(19-23(21)24)17-20-9-3-1-4-10-20/h1-6,9-12,21,23-24H,7-8,13-19H2,(H,27,29)/t21-,23+,24-/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]-1-phenylcyclopentane-1-carboxamide?
N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 388.55 g/mol, XLogP of 4.53, 5 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]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 46213301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).