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

C18H21N3O4 — CID 110562653

IUPACN-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
SMILESCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCOCC2)C1=O
InChIInChI=1S/C18H21N3O4/c1-3-21-17(23)15(13-4-6-14(7-5-13)19-12(2)22)16(18(21)24)20-8-10-25-11-9-20/h4-7H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyBVBUMRKYAIOVBU-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.08
Rot. Bonds4

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

N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide (PubChem CID 110562653) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
PubChem CID110562653
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
SMILESCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCOCC2)C1=O
InChIInChI=1S/C18H21N3O4/c1-3-21-17(23)15(13-4-6-14(7-5-13)19-12(2)22)16(18(21)24)20-8-10-25-11-9-20/h4-7H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyBVBUMRKYAIOVBU-UHFFFAOYSA-N
XLogP1.08
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.08
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-ethyl-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562647
1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110559416
N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563365
3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546616
N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110562792
N-[4-[1-butyl-4-(4-methylpiperazin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562585
N-[4-[1-(2-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563681
N-[4-[4-(4-ethylpiperazin-1-yl)-2,5-dioxo-1-prop-2-enylpyrrol-3-yl]phenyl]acetamide
CID 110563035
N-[4-[4-(4-methylpiperidin-1-yl)-2,5-dioxo-1-(oxolan-2-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562376
N-[4-[4-(4-ethylpiperazin-1-yl)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562694
N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide
CID 110562964
N-[4-[1-(3-ethoxypropyl)-4-(4-methylpiperazin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563090

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide (CID 110562653) is N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide is CCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCOCC2)C1=O.
What is the InChIKey of N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide?
The InChIKey is BVBUMRKYAIOVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-21-17(23)15(13-4-6-14(7-5-13)19-12(2)22)16(18(21)24)20-8-10-25-11-9-20/h4-7H,3,8-11H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide?
N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide has a molecular weight of 343.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide is sourced from PubChem (CID 110562653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).