(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide

C17H15N3O2 — CID 125044412

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide
SMILES[H]/N=C(\N)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15N3O2/c18-15(19)14(10-11-6-2-1-3-7-11)20-16(21)12-8-4-5-9-13(12)17(20)22/h1-9,14H,10H2,(H3,18,19)/t14-/m0/s1
InChIKeyDYIWQOXKOMXSHY-AWEZNQCLSA-N
MW293.33 g/mol
LogP1.83
Rot. Bonds4

About (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide

(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide (PubChem CID 125044412) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide
PubChem CID125044412
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide
SMILES[H]/N=C(\N)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15N3O2/c18-15(19)14(10-11-6-2-1-3-7-11)20-16(21)12-8-4-5-9-13(12)17(20)22/h1-9,14H,10H2,(H3,18,19)/t14-/m0/s1
InChIKeyDYIWQOXKOMXSHY-AWEZNQCLSA-N
XLogP1.83
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 6919275
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl chloride
CID 42325650
ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 830179
[(3S)-3-(1,3-dioxoisoindol-2-yl)-2-oxo-4-phenylbutyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 23314933
methyl (2S)-2-(1-imino-3-oxoisoindol-2-yl)-3-phenylpropanoate
CID 134821366
2-oxopropyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 22110471
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
CID 118343365
N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 154722861
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 8928431
(4-bromophenyl) (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 1308345
2-ethoxyethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 24518121

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide (CID 125044412) is (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide is [H]/N=C(\N)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide?
The InChIKey is DYIWQOXKOMXSHY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-15(19)14(10-11-6-2-1-3-7-11)20-16(21)12-8-4-5-9-13(12)17(20)22/h1-9,14H,10H2,(H3,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide has a molecular weight of 293.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanimidamide is sourced from PubChem (CID 125044412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).