2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione

C27H25N5O4 — CID 67688897

IUPAC2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione
SMILESNCCN(CCN(N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O)Cc1ccccc1
InChIInChI=1S/C27H25N5O4/c28-14-15-29(18-19-8-2-1-3-9-19)16-17-30(31-24(33)20-10-4-5-11-21(20)25(31)34)32-26(35)22-12-6-7-13-23(22)27(32)36/h1-13H,14-18,28H2
InChIKeyORDFHKCKVCUJMY-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.17
Rot. Bonds9

About 2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione

2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione (PubChem CID 67688897) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione
PubChem CID67688897
Molecular FormulaC27H25N5O4
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC Name2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione
SMILESNCCN(CCN(N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O)Cc1ccccc1
InChIInChI=1S/C27H25N5O4/c28-14-15-29(18-19-8-2-1-3-9-19)16-17-30(31-24(33)20-10-4-5-11-21(20)25(31)34)32-26(35)22-12-6-7-13-23(22)27(32)36/h1-13H,14-18,28H2
InChIKeyORDFHKCKVCUJMY-UHFFFAOYSA-N
XLogP2.17
TPSA107.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
CID 101461919
N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 61014687
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
5-[2-aminoethyl(benzyl)amino]pentan-1-ol
CID 62229179
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione
CID 22067483
benzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate
CID 10548187
2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol
CID 61069966

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione (CID 67688897) is 2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione is NCCN(CCN(N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O)Cc1ccccc1.
What is the InChIKey of 2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione?
The InChIKey is ORDFHKCKVCUJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c28-14-15-29(18-19-8-2-1-3-9-19)16-17-30(31-24(33)20-10-4-5-11-21(20)25(31)34)32-26(35)22-12-6-7-13-23(22)27(32)36/h1-13H,14-18,28H2.
What are the key properties of 2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione?
2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione has a molecular weight of 483.53 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-aminoethyl(benzyl)amino]ethyl-(1,3-dioxoisoindol-2-yl)amino]isoindole-1,3-dione is sourced from PubChem (CID 67688897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).