[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium

C25H33N4O+ — CID 9328017

IUPAC[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium
SMILESC[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C25H32N4O/c1-18(25(30)29-14-6-7-15-29)26-16-22(19-10-12-20(13-11-19)28(2)3)23-17-27-24-9-5-4-8-21(23)24/h4-5,8-13,17-18,22,26-27H,6-7,14-16H2,1-3H3/p+1/t18-,22-/m0/s1
InChIKeyMLVXLWPQCTXYQK-AVRDEDQJSA-O
MW405.57 g/mol
LogP2.94
Rot. Bonds7

About [(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium

[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium (PubChem CID 9328017) has the molecular formula C25H33N4O+ and a molecular weight of 405.57 g/mol. Its IUPAC name is [(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium
PubChem CID9328017
Molecular FormulaC25H33N4O+
Molecular Weight405.57 g/mol
Exact Mass405.26
IUPAC Name[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium
SMILESC[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C25H32N4O/c1-18(25(30)29-14-6-7-15-29)26-16-22(19-10-12-20(13-11-19)28(2)3)23-17-27-24-9-5-4-8-21(23)24/h4-5,8-13,17-18,22,26-27H,6-7,14-16H2,1-3H3/p+1/t18-,22-/m0/s1
InChIKeyMLVXLWPQCTXYQK-AVRDEDQJSA-O
XLogP2.94
TPSA55.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium 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

4-[1H-indol-3-yl(piperidin-1-yl)methyl]-N,N-dimethylaniline
CID 110453280
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 8645346
1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one
CID 67186064
(1S)-2,2-dichloro-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 31854198
2,2-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 43005305
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 43004905
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43053644
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26918563
2-(4-acetamidophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]acetamide
CID 41084156
(3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 52511357
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethoxy)propanamide
CID 86949984
(2S)-2-cyclopropyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-morpholin-4-ylacetamide
CID 95781093

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium?
The IUPAC name of [(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium (CID 9328017) is [(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium.
What is the SMILES notation for [(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium?
The canonical SMILES for [(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium is C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12)C(=O)N1CCCC1.
What is the InChIKey of [(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium?
The InChIKey is MLVXLWPQCTXYQK-AVRDEDQJSA-O. The full InChI is InChI=1S/C25H32N4O/c1-18(25(30)29-14-6-7-15-29)26-16-22(19-10-12-20(13-11-19)28(2)3)23-17-27-24-9-5-4-8-21(23)24/h4-5,8-13,17-18,22,26-27H,6-7,14-16H2,1-3H3/p+1/t18-,22-/m0/s1.
What are the key properties of [(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium?
[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium has a molecular weight of 405.57 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium is sourced from PubChem (CID 9328017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).