2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide

C24H26N2O4 — CID 108757452

IUPAC2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide
SMILESCc1ccc2c(c1)C(NC(=O)C(CC(C)C)N1C(=O)c3ccccc3C1=O)CCO2
InChIInChI=1S/C24H26N2O4/c1-14(2)12-20(26-23(28)16-6-4-5-7-17(16)24(26)29)22(27)25-19-10-11-30-21-9-8-15(3)13-18(19)21/h4-9,13-14,19-20H,10-12H2,1-3H3,(H,25,27)
InChIKeyFJXKOCIDHFLOCN-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.65
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide

2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide (PubChem CID 108757452) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide
PubChem CID108757452
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide
SMILESCc1ccc2c(c1)C(NC(=O)C(CC(C)C)N1C(=O)c3ccccc3C1=O)CCO2
InChIInChI=1S/C24H26N2O4/c1-14(2)12-20(26-23(28)16-6-4-5-7-17(16)24(26)29)22(27)25-19-10-11-30-21-9-8-15(3)13-18(19)21/h4-9,13-14,19-20H,10-12H2,1-3H3,(H,25,27)
InChIKeyFJXKOCIDHFLOCN-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108734122
(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 2559883
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476
2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108734108
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]pentanamide
CID 51405232
(2S)-N-(1-acetylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 39966068
(2R)-N-(1,3-benzodioxol-5-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2303089
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methylpentanamide
CID 7346494
2-methyl-N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide
CID 110478514
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
CID 108781699
2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757445

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide (CID 108757452) is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide is Cc1ccc2c(c1)C(NC(=O)C(CC(C)C)N1C(=O)c3ccccc3C1=O)CCO2.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide?
The InChIKey is FJXKOCIDHFLOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-14(2)12-20(26-23(28)16-6-4-5-7-17(16)24(26)29)22(27)25-19-10-11-30-21-9-8-15(3)13-18(19)21/h4-9,13-14,19-20H,10-12H2,1-3H3,(H,25,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide?
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide has a molecular weight of 406.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide is sourced from PubChem (CID 108757452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).