(3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

C26H36N4O4 — CID 162533645

IUPAC(3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESCN(C)c1ccc(CCC(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)cc1
InChIInChI=1S/C26H36N4O4/c1-29(2)21-9-6-17(7-10-21)8-11-23(32)30-15-19-4-3-5-22(19)24(30)26(34)28-20(16-31)14-18-12-13-27-25(18)33/h6-7,9-10,16,18-20,22,24H,3-5,8,11-15H2,1-2H3,(H,27,33)(H,28,34)/t18-,19?,20-,22?,24+/m0/s1
InChIKeyNXGBAEZSUURIHI-QBJDBKRTSA-N
MW468.60 g/mol
LogP1.52
Rot. Bonds9

About (3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

(3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (PubChem CID 162533645) has the molecular formula C26H36N4O4 and a molecular weight of 468.60 g/mol. Its IUPAC name is (3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
PubChem CID162533645
Molecular FormulaC26H36N4O4
Molecular Weight468.60 g/mol
Exact Mass468.27
IUPAC Name(3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESCN(C)c1ccc(CCC(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)cc1
InChIInChI=1S/C26H36N4O4/c1-29(2)21-9-6-17(7-10-21)8-11-23(32)30-15-19-4-3-5-22(19)24(30)26(34)28-20(16-31)14-18-12-13-27-25(18)33/h6-7,9-10,16,18-20,22,24H,3-5,8,11-15H2,1-2H3,(H,27,33)(H,28,34)/t18-,19?,20-,22?,24+/m0/s1
InChIKeyNXGBAEZSUURIHI-QBJDBKRTSA-N
XLogP1.52
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of (3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (CID 162533645) is (3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for (3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for (3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is CN(C)c1ccc(CCC(=O)N2CC3CCCC3[C@@H]2C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)cc1.
What is the InChIKey of (3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is NXGBAEZSUURIHI-QBJDBKRTSA-N. The full InChI is InChI=1S/C26H36N4O4/c1-29(2)21-9-6-17(7-10-21)8-11-23(32)30-15-19-4-3-5-22(19)24(30)26(34)28-20(16-31)14-18-12-13-27-25(18)33/h6-7,9-10,16,18-20,22,24H,3-5,8,11-15H2,1-2H3,(H,27,33)(H,28,34)/t18-,19?,20-,22?,24+/m0/s1.
What are the key properties of (3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
(3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[3-[4-(dimethylamino)phenyl]propanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 162533645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).