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

C19H18N2O3 — CID 2877850

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)N1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-12(14-8-4-3-5-9-14)20-17(22)13(2)21-18(23)15-10-6-7-11-16(15)19(21)24/h3-13H,1-2H3,(H,20,22)
InChIKeyVFXNKINWQFISSJ-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.55
Rot. Bonds4

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

2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide (PubChem CID 2877850) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
PubChem CID2877850
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)N1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-12(14-8-4-3-5-9-14)20-17(22)13(2)21-18(23)15-10-6-7-11-16(15)19(21)24/h3-13H,1-2H3,(H,20,22)
InChIKeyVFXNKINWQFISSJ-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.55
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

(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 8751687
2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 14542722
N-[1-(3-bromophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55591432
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 3148598
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945542
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
methyl (2S)-2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-3-methylbutanoate
CID 101224489
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
CID 63870086
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide (CID 2877850) is 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide is CC(NC(=O)C(C)N1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is VFXNKINWQFISSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(14-8-4-3-5-9-14)20-17(22)13(2)21-18(23)15-10-6-7-11-16(15)19(21)24/h3-13H,1-2H3,(H,20,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 322.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 2877850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).