N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide

C22H27N3O4 — CID 110562792

IUPACN-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCOCC3)C(=O)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C22H27N3O4/c1-15(26)23-17-9-7-16(8-10-17)19-20(24-11-13-29-14-12-24)22(28)25(21(19)27)18-5-3-2-4-6-18/h7-10,18H,2-6,11-14H2,1H3,(H,23,26)
InChIKeyDYKLQGOXHFDJRF-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.39
Rot. Bonds4

About N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide

N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide (PubChem CID 110562792) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
PubChem CID110562792
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCOCC3)C(=O)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C22H27N3O4/c1-15(26)23-17-9-7-16(8-10-17)19-20(24-11-13-29-14-12-24)22(28)25(21(19)27)18-5-3-2-4-6-18/h7-10,18H,2-6,11-14H2,1H3,(H,23,26)
InChIKeyDYKLQGOXHFDJRF-UHFFFAOYSA-N
XLogP2.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[1-cyclooctyl-4-(4-ethylpiperazin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562848
N-[4-[1-cyclooctyl-4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562847
3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110569785
1-cyclohexyl-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110543928
1-cycloheptyl-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546790
N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110562653
N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563365
N-[4-(1-cyclohexyl-2,5-dioxo-4-propan-2-ylsulfanylpyrrol-3-yl)phenyl]acetamide
CID 110562811
N-[4-[1-(2-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563681
N-[4-[1-cyclohexyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562799
3-(4-chlorophenyl)-1-cyclohexyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110569779
N-[4-[1-cycloheptyl-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562833

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide (CID 110562792) is N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2=C(N3CCOCC3)C(=O)N(C3CCCCC3)C2=O)cc1.
What is the InChIKey of N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide?
The InChIKey is DYKLQGOXHFDJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15(26)23-17-9-7-16(8-10-17)19-20(24-11-13-29-14-12-24)22(28)25(21(19)27)18-5-3-2-4-6-18/h7-10,18H,2-6,11-14H2,1H3,(H,23,26).
What are the key properties of N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide?
N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide is sourced from PubChem (CID 110562792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).