N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide

C21H21N3O5 — CID 60576778

IUPACN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide
SMILESCCC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C21H21N3O5/c1-2-21(12-11-18(25)23-20(21)27)15-5-7-16(8-6-15)22-19(26)13-14-3-9-17(10-4-14)24(28)29/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,25,27)
InChIKeyDFQOXXLWVBQVMV-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.86
Rot. Bonds6

About N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide

N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide (PubChem CID 60576778) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide
PubChem CID60576778
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide
SMILESCCC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C21H21N3O5/c1-2-21(12-11-18(25)23-20(21)27)15-5-7-16(8-6-15)22-19(26)13-14-3-9-17(10-4-14)24(28)29/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,25,27)
InChIKeyDFQOXXLWVBQVMV-UHFFFAOYSA-N
XLogP2.86
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Aminoglutethimide
CID 2145
4-tert-butyl-N-(3-nitrophenyl)benzamide
CID 772637
N1-(biphenyl-4-yl)-N8-hydroxyoctanediamide
CID 25032059
3-(4-Aminophenyl)-3-cyclohexylpiperidine-2,6-dione
CID 126253
Tert-butylbenzamido hydroxylbenzamide
CID 11688197
N-(4-(3-Ethyl-2,6-dioxo-3-piperidinyl)phenyl)acetamide
CID 38050
N-(2-Ethylphenyl)-4-nitrobenzamide
CID 791934
4-tert-butyl-N-(4-nitrophenyl)benzamide
CID 2849820
N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentanecarboxamide
CID 969623
3-(4-Amino-phenyl)-3-pentyl-piperidine-2,6-dione
CID 13660221
N-(4-methyl-2-nitrophenyl)-4-phenylbutanamide
CID 2907454
N-(4-tert-Butyl-2-nitrophenyl)benzamide
CID 570216

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide (CID 60576778) is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide is CCC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)CCC(=O)NC1=O.
What is the InChIKey of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is DFQOXXLWVBQVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-2-21(12-11-18(25)23-20(21)27)15-5-7-16(8-6-15)22-19(26)13-14-3-9-17(10-4-14)24(28)29/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,25,27).
What are the key properties of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide?
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 395.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 60576778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).