(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide

C26H24N2O3 — CID 8928431

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H24N2O3/c1-18(20-13-7-4-8-14-20)27(2)26(31)23(17-19-11-5-3-6-12-19)28-24(29)21-15-9-10-16-22(21)25(28)30/h3-16,18,23H,17H2,1-2H3/t18-,23-/m0/s1
InChIKeyRRYVNEPNFJIANU-MBSDFSHPSA-N
MW412.49 g/mol
LogP4.11
Rot. Bonds6

About (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 8928431) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
PubChem CID8928431
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H24N2O3/c1-18(20-13-7-4-8-14-20)27(2)26(31)23(17-19-11-5-3-6-12-19)28-24(29)21-15-9-10-16-22(21)25(28)30/h3-16,18,23H,17H2,1-2H3/t18-,23-/m0/s1
InChIKeyRRYVNEPNFJIANU-MBSDFSHPSA-N
XLogP4.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 3148598
(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
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 154722861
(2S)-N-[(2S)-butan-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2597519
2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 2856106
2-oxopropyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 22110471
2-[(2S)-1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 1167505
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
CID 118343365
2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
CID 1121128
(2S)-N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1181271

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide (CID 8928431) is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide is C[C@@H](c1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is RRYVNEPNFJIANU-MBSDFSHPSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-18(20-13-7-4-8-14-20)27(2)26(31)23(17-19-11-5-3-6-12-19)28-24(29)21-15-9-10-16-22(21)25(28)30/h3-16,18,23H,17H2,1-2H3/t18-,23-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 412.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 8928431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).