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

C33H40N2O — CID 75150631

IUPACN-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide
SMILESCC(C)C(C(=O)NC1CCC2CN(CCC(c3ccccc3)c3ccccc3)CC21)c1ccccc1
InChIInChI=1S/C33H40N2O/c1-24(2)32(27-16-10-5-11-17-27)33(36)34-31-19-18-28-22-35(23-30(28)31)21-20-29(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-17,24,28-32H,18-23H2,1-2H3,(H,34,36)
InChIKeyHANJFSRUVQXSSI-UHFFFAOYSA-N
MW480.70 g/mol
LogP6.47
Rot. Bonds9

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

N-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide (PubChem CID 75150631) has the molecular formula C33H40N2O and a molecular weight of 480.70 g/mol. Its IUPAC name is N-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide
PubChem CID75150631
Molecular FormulaC33H40N2O
Molecular Weight480.70 g/mol
Exact Mass480.31
IUPAC NameN-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide
SMILESCC(C)C(C(=O)NC1CCC2CN(CCC(c3ccccc3)c3ccccc3)CC21)c1ccccc1
InChIInChI=1S/C33H40N2O/c1-24(2)32(27-16-10-5-11-17-27)33(36)34-31-19-18-28-22-35(23-30(28)31)21-20-29(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-17,24,28-32H,18-23H2,1-2H3,(H,34,36)
InChIKeyHANJFSRUVQXSSI-UHFFFAOYSA-N
XLogP6.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.70
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(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
(2S)-N-[(3aR,4S,6aS)-2-[3,3-bis(4-fluorophenyl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-(methylamino)pentanamide
CID 66590488
(2S)-N-[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-amino-3,3-dimethylbutanamide
CID 66590025
(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
(2S)-N-[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 46213434
3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide
CID 119449948
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-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
CID 119601012
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
[1-[[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-1-oxopentan-2-yl]-methylcarbamic acid
CID 66590469

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide?
The IUPAC name of N-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide (CID 75150631) is N-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide.
What is the SMILES notation for N-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide?
The canonical SMILES for N-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide is CC(C)C(C(=O)NC1CCC2CN(CCC(c3ccccc3)c3ccccc3)CC21)c1ccccc1.
What is the InChIKey of N-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide?
The InChIKey is HANJFSRUVQXSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N2O/c1-24(2)32(27-16-10-5-11-17-27)33(36)34-31-19-18-28-22-35(23-30(28)31)21-20-29(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-17,24,28-32H,18-23H2,1-2H3,(H,34,36).
What are the key properties of N-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide?
N-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide has a molecular weight of 480.70 g/mol, XLogP of 6.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-diphenylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide is sourced from PubChem (CID 75150631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).