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

C26H23N3O4 — CID 110563580

IUPACN-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCOc1ccccc1N1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C26H23N3O4/c1-17(30)27-19-15-13-18(14-16-19)23-24(28(2)20-9-5-4-6-10-20)26(32)29(25(23)31)21-11-7-8-12-22(21)33-3/h4-16H,1-3H3,(H,27,30)
InChIKeyVCQFQWULVIHPNK-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.07
Rot. Bonds6

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

N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110563580) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110563580
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC NameN-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCOc1ccccc1N1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C26H23N3O4/c1-17(30)27-19-15-13-18(14-16-19)23-24(28(2)20-9-5-4-6-10-20)26(32)29(25(23)31)21-11-7-8-12-22(21)33-3/h4-16H,1-3H3,(H,27,30)
InChIKeyVCQFQWULVIHPNK-UHFFFAOYSA-N
XLogP4.07
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.07
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-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110545385
N-[4-[4-benzylsulfanyl-1-(2-methoxyphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563586
1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574357
1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110544717
N-[4-[1-cycloheptyl-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562833
1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110558315
N-[4-[4-[bis(2-methoxyethyl)amino]-1-(2-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563690
N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563569
N-[4-[4-(furan-2-ylmethylsulfanyl)-1-(2-methoxyphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563585
1-(2-fluorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573548
3-(4-chlorophenyl)-4-(N-methylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110571328
1-(2-ethoxyphenyl)-3-(N-methylanilino)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542076

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110563580) is N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is COc1ccccc1N1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N(C)c2ccccc2)C1=O.
What is the InChIKey of N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is VCQFQWULVIHPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-17(30)27-19-15-13-18(14-16-19)23-24(28(2)20-9-5-4-6-10-20)26(32)29(25(23)31)21-11-7-8-12-22(21)33-3/h4-16H,1-3H3,(H,27,30).
What are the key properties of N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 441.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110563580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).