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

C30H24N4O3 — CID 122233504

IUPACN-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C(c3cn(C)c4ccccc34)=C(c3cn(C)c4ccccc34)C2=O)cc1
InChIInChI=1S/C30H24N4O3/c1-18(35)31-19-12-14-20(15-13-19)34-29(36)27(23-16-32(2)25-10-6-4-8-21(23)25)28(30(34)37)24-17-33(3)26-11-7-5-9-22(24)26/h4-17H,1-3H3,(H,31,35)
InChIKeyPXQUGQIBYMJMPN-UHFFFAOYSA-N
MW488.55 g/mol
LogP5.11
Rot. Bonds4

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

N-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide (PubChem CID 122233504) has the molecular formula C30H24N4O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is N-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
PubChem CID122233504
Molecular FormulaC30H24N4O3
Molecular Weight488.55 g/mol
Exact Mass488.18
IUPAC NameN-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C(c3cn(C)c4ccccc34)=C(c3cn(C)c4ccccc34)C2=O)cc1
InChIInChI=1S/C30H24N4O3/c1-18(35)31-19-12-14-20(15-13-19)34-29(36)27(23-16-32(2)25-10-6-4-8-21(23)25)28(30(34)37)24-17-33(3)26-11-7-5-9-22(24)26/h4-17H,1-3H3,(H,31,35)
InChIKeyPXQUGQIBYMJMPN-UHFFFAOYSA-N
XLogP5.11
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 55.11
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

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N-[4-[3-[methyl-(1-methylpiperidin-4-yl)amino]-2,5-dioxo-4-phenylpyrrol-1-yl]phenyl]acetamide
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N-[4-[3-(2-methoxyphenyl)-2,5-dioxo-4-propan-2-ylsulfanylpyrrol-1-yl]phenyl]acetamide
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CID 1108555
N-[4-[3-[benzyl(methyl)amino]-4-(2,4-dimethylphenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
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N-[4-[3-(4-fluoroanilino)-4-(4-fluorophenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110587150
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide
CID 110570969
N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide (CID 122233504) is N-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)C(c3cn(C)c4ccccc34)=C(c3cn(C)c4ccccc34)C2=O)cc1.
What is the InChIKey of N-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide?
The InChIKey is PXQUGQIBYMJMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O3/c1-18(35)31-19-12-14-20(15-13-19)34-29(36)27(23-16-32(2)25-10-6-4-8-21(23)25)28(30(34)37)24-17-33(3)26-11-7-5-9-22(24)26/h4-17H,1-3H3,(H,31,35).
What are the key properties of N-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide?
N-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide has a molecular weight of 488.55 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide is sourced from PubChem (CID 122233504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).