N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide

C22H30ClN3O4 — CID 23998908

IUPACN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
SMILESCC(C)(C)CC(=O)N(CCN1CCOCC1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C22H30ClN3O4/c1-22(2,3)15-20(28)25(9-8-24-10-12-30-13-11-24)18-14-19(27)26(21(18)29)17-6-4-16(23)5-7-17/h4-7,18H,8-15H2,1-3H3
InChIKeyDIGKWCMHCBVJFZ-UHFFFAOYSA-N
MW435.95 g/mol
LogP2.57
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide

N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 23998908) has the molecular formula C22H30ClN3O4 and a molecular weight of 435.95 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID23998908
Molecular FormulaC22H30ClN3O4
Molecular Weight435.95 g/mol
Exact Mass435.19
IUPAC NameN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
SMILESCC(C)(C)CC(=O)N(CCN1CCOCC1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C22H30ClN3O4/c1-22(2,3)15-20(28)25(9-8-24-10-12-30-13-11-24)18-14-19(27)26(21(18)29)17-6-4-16(23)5-7-17/h4-7,18H,8-15H2,1-3H3
InChIKeyDIGKWCMHCBVJFZ-UHFFFAOYSA-N
XLogP2.57
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.95
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 25049118
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 23944470
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 23916700
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 23888503
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 23888617
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 23998895
3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
CID 23743856
N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23802161
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)propanamide
CID 3121026
N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide
CID 23802165
4-chloro-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
CID 23860640
N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23915182

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide (CID 23998908) is N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide is CC(C)(C)CC(=O)N(CCN1CCOCC1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is DIGKWCMHCBVJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O4/c1-22(2,3)15-20(28)25(9-8-24-10-12-30-13-11-24)18-14-19(27)26(21(18)29)17-6-4-16(23)5-7-17/h4-7,18H,8-15H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide?
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 435.95 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 23998908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).