N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

C20H21N3O3 — CID 119528388

IUPACN-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)NCC(N)c1ccccc1)C2=O
InChIInChI=1S/C20H21N3O3/c1-12-8-9-15-16(10-12)20(26)23(19(15)25)13(2)18(24)22-11-17(21)14-6-4-3-5-7-14/h3-10,13,17H,11,21H2,1-2H3,(H,22,24)
InChIKeyUOPBKHWAEYAMFR-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.80
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 119528388) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID119528388
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)NCC(N)c1ccccc1)C2=O
InChIInChI=1S/C20H21N3O3/c1-12-8-9-15-16(10-12)20(26)23(19(15)25)13(2)18(24)22-11-17(21)14-6-4-3-5-7-14/h3-10,13,17H,11,21H2,1-2H3,(H,22,24)
InChIKeyUOPBKHWAEYAMFR-UHFFFAOYSA-N
XLogP1.80
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119995908
N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 120509037
N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide
CID 119528615
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 120944416
N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119666526
N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide
CID 119527892
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-4-methylbenzamide
CID 108537941
[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46608728
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51417174
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
CID 2877850
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119535468

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (CID 119528388) is N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is Cc1ccc2c(c1)C(=O)N(C(C)C(=O)NCC(N)c1ccccc1)C2=O.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is UOPBKHWAEYAMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12-8-9-15-16(10-12)20(26)23(19(15)25)13(2)18(24)22-11-17(21)14-6-4-3-5-7-14/h3-10,13,17H,11,21H2,1-2H3,(H,22,24).
What are the key properties of N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 119528388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).