3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide

C25H22N2O3 — CID 8797996

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccc([C@@H](NC(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1
InChIInChI=1S/C25H22N2O3/c1-17-11-13-19(14-12-17)23(18-7-3-2-4-8-18)26-22(28)15-16-27-24(29)20-9-5-6-10-21(20)25(27)30/h2-14,23H,15-16H2,1H3,(H,26,28)/t23-/m0/s1
InChIKeyFPSBZZZKTGPGHP-QHCPKHFHSA-N
MW398.46 g/mol
LogP3.89
Rot. Bonds6

About 3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide (PubChem CID 8797996) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
PubChem CID8797996
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccc([C@@H](NC(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1
InChIInChI=1S/C25H22N2O3/c1-17-11-13-19(14-12-17)23(18-7-3-2-4-8-18)26-22(28)15-16-27-24(29)20-9-5-6-10-21(20)25(27)30/h2-14,23H,15-16H2,1H3,(H,26,28)/t23-/m0/s1
InChIKeyFPSBZZZKTGPGHP-QHCPKHFHSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797989
3-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
CID 55583655
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]propanamide
CID 8854781
2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 1312829
N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 23993693
N-(benzhydrylcarbamothioyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19189102
3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 42896543
3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 27782319
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8936932
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide
CID 92685405
3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide
CID 9125353

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide (CID 8797996) is 3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide is Cc1ccc([C@@H](NC(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide?
The InChIKey is FPSBZZZKTGPGHP-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-17-11-13-19(14-12-17)23(18-7-3-2-4-8-18)26-22(28)15-16-27-24(29)20-9-5-6-10-21(20)25(27)30/h2-14,23H,15-16H2,1H3,(H,26,28)/t23-/m0/s1.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide has a molecular weight of 398.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide is sourced from PubChem (CID 8797996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).