N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide

C24H28N2O4 — CID 23915169

IUPACN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
SMILESCCCC(=O)N(CCc1ccccc1)C1CC(=O)N(c2ccc(OCC)cc2)C1=O
InChIInChI=1S/C24H28N2O4/c1-3-8-22(27)25(16-15-18-9-6-5-7-10-18)21-17-23(28)26(24(21)29)19-11-13-20(14-12-19)30-4-2/h5-7,9-14,21H,3-4,8,15-17H2,1-2H3
InChIKeyPKEJNUQDHQKQLI-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.59
Rot. Bonds9

About N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide

N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide (PubChem CID 23915169) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
PubChem CID23915169
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
SMILESCCCC(=O)N(CCc1ccccc1)C1CC(=O)N(c2ccc(OCC)cc2)C1=O
InChIInChI=1S/C24H28N2O4/c1-3-8-22(27)25(16-15-18-9-6-5-7-10-18)21-17-23(28)26(24(21)29)19-11-13-20(14-12-19)30-4-2/h5-7,9-14,21H,3-4,8,15-17H2,1-2H3
InChIKeyPKEJNUQDHQKQLI-UHFFFAOYSA-N
XLogP3.59
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.59
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-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 23971036
N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide
CID 23998873
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23887067
(E)-4-[[(3R)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)amino]-4-oxobut-2-enoic acid
CID 40785418
N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-phenylethyl)butanamide
CID 23743857
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)propanamide
CID 3121026
4-[[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)amino]-4-oxobutanoic acid
CID 7013740
1-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-methyl-1-(2-phenylethyl)thiourea
CID 98370570
(E)-4-[[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-(2-phenylethyl)amino]-4-oxobut-2-enoate
CID 7099169
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 23830936
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]butanamide
CID 23859290
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide
CID 23743830

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide (CID 23915169) is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide is CCCC(=O)N(CCc1ccccc1)C1CC(=O)N(c2ccc(OCC)cc2)C1=O.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide?
The InChIKey is PKEJNUQDHQKQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-3-8-22(27)25(16-15-18-9-6-5-7-10-18)21-17-23(28)26(24(21)29)19-11-13-20(14-12-19)30-4-2/h5-7,9-14,21H,3-4,8,15-17H2,1-2H3.
What are the key properties of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide?
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide has a molecular weight of 408.50 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 23915169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).