N-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride

C28H29ClN4O2 — CID 163326817

IUPACN-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride
SMILESCN(C)CCNC(=O)CN1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12.Cl
InChIInChI=1S/C28H28N4O2.ClH/c1-31(2)17-16-29-24(33)18-32-27(20-12-6-7-13-21(20)28(32)34)25-22-14-8-9-15-23(22)30-26(25)19-10-4-3-5-11-19;/h3-15,27,30H,16-18H2,1-2H3,(H,29,33);1H
InChIKeyLSOVVRNDWABABJ-UHFFFAOYSA-N
MW489.02 g/mol
LogP4.48
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride

N-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride (PubChem CID 163326817) has the molecular formula C28H29ClN4O2 and a molecular weight of 489.02 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride
PubChem CID163326817
Molecular FormulaC28H29ClN4O2
Molecular Weight489.02 g/mol
Exact Mass488.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride
SMILESCN(C)CCNC(=O)CN1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12.Cl
InChIInChI=1S/C28H28N4O2.ClH/c1-31(2)17-16-29-24(33)18-32-27(20-12-6-7-13-21(20)28(32)34)25-22-14-8-9-15-23(22)30-26(25)19-10-4-3-5-11-19;/h3-15,27,30H,16-18H2,1-2H3,(H,29,33);1H
InChIKeyLSOVVRNDWABABJ-UHFFFAOYSA-N
XLogP4.48
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.02
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride (CID 163326817) is N-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride is CN(C)CCNC(=O)CN1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride?
The InChIKey is LSOVVRNDWABABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2.ClH/c1-31(2)17-16-29-24(33)18-32-27(20-12-6-7-13-21(20)28(32)34)25-22-14-8-9-15-23(22)30-26(25)19-10-4-3-5-11-19;/h3-15,27,30H,16-18H2,1-2H3,(H,29,33);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride has a molecular weight of 489.02 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 163326817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).