N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide

C22H32N2O4 — CID 23743864

IUPACN-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
SMILESCCOc1ccc(N2C(=O)CC(N(C(=O)CC(C)(C)C)C(C)(C)C)C2=O)cc1
InChIInChI=1S/C22H32N2O4/c1-8-28-16-11-9-15(10-12-16)23-18(25)13-17(20(23)27)24(22(5,6)7)19(26)14-21(2,3)4/h9-12,17H,8,13-14H2,1-7H3
InChIKeyZANHAKDGPKAZQC-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.78
Rot. Bonds5

About N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide

N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide (PubChem CID 23743864) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
PubChem CID23743864
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC NameN-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
SMILESCCOc1ccc(N2C(=O)CC(N(C(=O)CC(C)(C)C)C(C)(C)C)C2=O)cc1
InChIInChI=1S/C22H32N2O4/c1-8-28-16-11-9-15(10-12-16)23-18(25)13-17(20(23)27)24(22(5,6)7)19(26)14-21(2,3)4/h9-12,17H,8,13-14H2,1-7H3
InChIKeyZANHAKDGPKAZQC-UHFFFAOYSA-N
XLogP3.78
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23972675
N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 25045753
ethyl 4-[3-[butanoyl(tert-butyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23998883
[4-[3-[cyclopropyl(3,3-dimethylbutanoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23830943
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23942969
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide
CID 23830896
(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 930931
4-methoxy-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzamide
CID 23832270
N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-phenylethyl)butanamide
CID 23743857
N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23970972
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide
CID 1044879
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 23859178

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide (CID 23743864) is N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide is CCOc1ccc(N2C(=O)CC(N(C(=O)CC(C)(C)C)C(C)(C)C)C2=O)cc1.
What is the InChIKey of N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
The InChIKey is ZANHAKDGPKAZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-8-28-16-11-9-15(10-12-16)23-18(25)13-17(20(23)27)24(22(5,6)7)19(26)14-21(2,3)4/h9-12,17H,8,13-14H2,1-7H3.
What are the key properties of N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide has a molecular weight of 388.51 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 23743864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).