2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide

C24H28N2O2 — CID 55495065

IUPAC2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NC(c1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C24H28N2O2/c1-15(2)18-10-12-19(13-11-18)23(16(3)4)25-22(27)14-26-17(5)20-8-6-7-9-21(20)24(26)28/h6-13,15-16,23H,5,14H2,1-4H3,(H,25,27)
InChIKeyBPJMQHISEDAOFY-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.75
Rot. Bonds6

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide (PubChem CID 55495065) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
PubChem CID55495065
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NC(c1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C24H28N2O2/c1-15(2)18-10-12-19(13-11-18)23(16(3)4)25-22(27)14-26-17(5)20-8-6-7-9-21(20)24(26)28/h6-13,15-16,23H,5,14H2,1-4H3,(H,25,27)
InChIKeyBPJMQHISEDAOFY-UHFFFAOYSA-N
XLogP4.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18135586
N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8889077
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 46823895
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18135714
2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051678
2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 29230660
4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 18200491
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 113202039
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 86924890
2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 1312829
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
CID 17419674
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 9073243

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide (CID 55495065) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NC(c1ccc(C(C)C)cc1)C(C)C.
What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The InChIKey is BPJMQHISEDAOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-15(2)18-10-12-19(13-11-18)23(16(3)4)25-22(27)14-26-17(5)20-8-6-7-9-21(20)24(26)28/h6-13,15-16,23H,5,14H2,1-4H3,(H,25,27).
What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide has a molecular weight of 376.50 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide is sourced from PubChem (CID 55495065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).