N-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide

C26H32N4O2 — CID 40975946

IUPACN-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
SMILESCCN(CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12
InChIInChI=1S/C26H32N4O2/c1-4-29(5-2)16-10-15-27-23(31)17-30-25(19-11-6-7-12-20(19)26(30)32)24-18(3)28-22-14-9-8-13-21(22)24/h6-9,11-14,25,28H,4-5,10,15-17H2,1-3H3,(H,27,31)/t25-/m0/s1
InChIKeySELGGXLBTWGHFD-VWLOTQADSA-N
MW432.57 g/mol
LogP3.87
Rot. Bonds9

About N-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide

N-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide (PubChem CID 40975946) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
PubChem CID40975946
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
SMILESCCN(CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12
InChIInChI=1S/C26H32N4O2/c1-4-29(5-2)16-10-15-27-23(31)17-30-25(19-11-6-7-12-20(19)26(30)32)24-18(3)28-22-14-9-8-13-21(22)24/h6-9,11-14,25,28H,4-5,10,15-17H2,1-3H3,(H,27,31)/t25-/m0/s1
InChIKeySELGGXLBTWGHFD-VWLOTQADSA-N
XLogP3.87
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide 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-[3-(diethylamino)propyl]-2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 3899803
methyl 2-[[2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]acetate
CID 7325251
N-[3-(diethylamino)propyl]-2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide;oxalic acid
CID 163326811
N-[3-(diethylamino)propyl]-2-[(1R)-1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
CID 41145280
2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide
CID 3895151
N-(1,3-benzodioxol-5-ylmethyl)-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
CID 41285075
N-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride
CID 163326817
(3S)-2-benzyl-3-(2-methyl-1H-indol-3-yl)-3H-isoindol-1-one
CID 41031637
2-[[2-[(1S)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetyl]amino]acetamide
CID 40975955
N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide
CID 3464828
N-(2-methoxyethyl)-2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 4571765
N'-[3-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanoyl]-3-phenylpropanehydrazide
CID 17018874

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide (CID 40975946) is N-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide is CCN(CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
The InChIKey is SELGGXLBTWGHFD-VWLOTQADSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-4-29(5-2)16-10-15-27-23(31)17-30-25(19-11-6-7-12-20(19)26(30)32)24-18(3)28-22-14-9-8-13-21(22)24/h6-9,11-14,25,28H,4-5,10,15-17H2,1-3H3,(H,27,31)/t25-/m0/s1.
What are the key properties of N-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide?
N-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide has a molecular weight of 432.57 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide is sourced from PubChem (CID 40975946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).