2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide

C24H22N2O3 — CID 4070544

IUPAC2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H22N2O3/c1-15(2)13-21(26-23(28)19-9-5-6-10-20(19)24(26)29)22(27)25-18-12-11-16-7-3-4-8-17(16)14-18/h3-12,14-15,21H,13H2,1-2H3,(H,25,27)
InChIKeyZRZHVCAQBTVEFC-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.49
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide

2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide (PubChem CID 4070544) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide
PubChem CID4070544
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H22N2O3/c1-15(2)13-21(26-23(28)19-9-5-6-10-20(19)24(26)29)22(27)25-18-12-11-16-7-3-4-8-17(16)14-18/h3-12,14-15,21H,13H2,1-2H3,(H,25,27)
InChIKeyZRZHVCAQBTVEFC-UHFFFAOYSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.49
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-(3-chloro-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 1217246
(2S)-N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 1112281
2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide
CID 19167534
(2R)-N-(1,3-benzodioxol-5-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2303089
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7067637
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 55540035
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 55917080
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
CID 7067644
(2S)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2420991
3-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]-N-propylbenzamide
CID 51956664
2-methoxyethyl 4-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]benzoate
CID 19169319

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide (CID 4070544) is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide is CC(C)CC(C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide?
The InChIKey is ZRZHVCAQBTVEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15(2)13-21(26-23(28)19-9-5-6-10-20(19)24(26)29)22(27)25-18-12-11-16-7-3-4-8-17(16)14-18/h3-12,14-15,21H,13H2,1-2H3,(H,25,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide?
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide has a molecular weight of 386.45 g/mol, XLogP of 4.49, 5 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)-4-methyl-N-naphthalen-2-ylpentanamide is sourced from PubChem (CID 4070544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).