N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide

C20H21N3O3 — CID 120886128

IUPACN-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)N(CCN)CCc3ccccc3)cc2C1=O
InChIInChI=1S/C20H21N3O3/c1-22-19(25)16-8-7-15(13-17(16)20(22)26)18(24)23(12-10-21)11-9-14-5-3-2-4-6-14/h2-8,13H,9-12,21H2,1H3
InChIKeyGMVLGIXRDKCNHN-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.56
Rot. Bonds6

About N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide

N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide (PubChem CID 120886128) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
PubChem CID120886128
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)N(CCN)CCc3ccccc3)cc2C1=O
InChIInChI=1S/C20H21N3O3/c1-22-19(25)16-8-7-15(13-17(16)20(22)26)18(24)23(12-10-21)11-9-14-5-3-2-4-6-14/h2-8,13H,9-12,21H2,1H3
InChIKeyGMVLGIXRDKCNHN-UHFFFAOYSA-N
XLogP1.56
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide
CID 120886194
3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
CID 120884910
N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide
CID 120884964
N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 111122028
N-(2-aminoethyl)-3-methyl-4-nitro-N-(2-phenylethyl)benzamide
CID 120887038
N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride
CID 120884829
N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 120884273
2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide
CID 120886586
N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 120884650

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide (CID 120886128) is N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)N(CCN)CCc3ccccc3)cc2C1=O.
What is the InChIKey of N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide?
The InChIKey is GMVLGIXRDKCNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-22-19(25)16-8-7-15(13-17(16)20(22)26)18(24)23(12-10-21)11-9-14-5-3-2-4-6-14/h2-8,13H,9-12,21H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide?
N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide is sourced from PubChem (CID 120886128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).