2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine

C21H23N5O3 — CID 145106429

IUPAC2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine
SMILESCCN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1N.[H]/N=C/C=N/[H]
InChIInChI=1S/C19H19N3O3.C2H4N2/c1-2-21(17(23)15-9-5-6-10-16(15)20)11-12-22-18(24)13-7-3-4-8-14(13)19(22)25;3-1-2-4/h3-10H,2,11-12,20H2,1H3;1-4H/b;3-1+,4-2+
InChIKeyJXQYCPKTUOHJCF-BZGZIVBQSA-N
MW393.45 g/mol
LogP2.31
Rot. Bonds6

About 2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine

2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine (PubChem CID 145106429) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine.

Molecular Properties

Compound Name2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine
PubChem CID145106429
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine
SMILESCCN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1N.[H]/N=C/C=N/[H]
InChIInChI=1S/C19H19N3O3.C2H4N2/c1-2-21(17(23)15-9-5-6-10-16(15)20)11-12-22-18(24)13-7-3-4-8-14(13)19(22)25;3-1-2-4/h3-10H,2,11-12,20H2,1H3;1-4H/b;3-1+,4-2+
InChIKeyJXQYCPKTUOHJCF-BZGZIVBQSA-N
XLogP2.31
TPSA131.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide
CID 102234851
2-amino-N,N-dipropylbenzamide
CID 16769117
2-(3-iminopropyl)isoindole-1,3-dione
CID 90696348
3-[(1,3-dioxoisoindol-2-yl)methyl]-1,1-diethylurea
CID 19258990
3-amino-2-bromo-N-(2-cyanoethyl)-N-ethylbenzamide
CID 113366975
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide
CID 84558909
2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methylbenzoate
CID 2604663
N-(2-cyanoethyl)-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide
CID 87018280
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 134307088

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine?
The IUPAC name of 2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine (CID 145106429) is 2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine.
What is the SMILES notation for 2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine?
The canonical SMILES for 2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine is CCN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1N.[H]/N=C/C=N/[H].
What is the InChIKey of 2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine?
The InChIKey is JXQYCPKTUOHJCF-BZGZIVBQSA-N. The full InChI is InChI=1S/C19H19N3O3.C2H4N2/c1-2-21(17(23)15-9-5-6-10-16(15)20)11-12-22-18(24)13-7-3-4-8-14(13)19(22)25;3-1-2-4/h3-10H,2,11-12,20H2,1H3;1-4H/b;3-1+,4-2+.
What are the key properties of 2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine?
2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine has a molecular weight of 393.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine is sourced from PubChem (CID 145106429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).