3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide

C24H28N2O3 — CID 46568652

IUPAC3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C24H28N2O3/c1-24(2,3)19-9-4-17(5-10-19)8-13-21(27)25-20-11-6-18(7-12-20)16-26-22(28)14-15-23(26)29/h4-7,9-12H,8,13-16H2,1-3H3,(H,25,27)
InChIKeyTTYLFPNOQUGKLL-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.20
Rot. Bonds6

About 3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide

3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide (PubChem CID 46568652) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
PubChem CID46568652
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C24H28N2O3/c1-24(2,3)19-9-4-17(5-10-19)8-13-21(27)25-20-11-6-18(7-12-20)16-26-22(28)14-15-23(26)29/h4-7,9-12H,8,13-16H2,1-3H3,(H,25,27)
InChIKeyTTYLFPNOQUGKLL-UHFFFAOYSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.20
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

N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17466104
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 35344493
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 24684324
N-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide
CID 166212876
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide
CID 35343898
3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide
CID 55532868
3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide
CID 110724921
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-methylpropanamide
CID 35341089
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide
CID 119715536
3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide
CID 17466693

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide (CID 46568652) is 3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide?
The InChIKey is TTYLFPNOQUGKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-24(2,3)19-9-4-17(5-10-19)8-13-21(27)25-20-11-6-18(7-12-20)16-26-22(28)14-15-23(26)29/h4-7,9-12H,8,13-16H2,1-3H3,(H,25,27).
What are the key properties of 3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide?
3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide has a molecular weight of 392.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 46568652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).