N-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

C24H28N4O3 — CID 110596516

IUPACN-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C24H28N4O3/c1-15(2)14-28-23(30)21(17-6-8-18(9-7-17)25-16(3)29)22(24(28)31)26-19-10-12-20(13-11-19)27(4)5/h6-13,15,26H,14H2,1-5H3,(H,25,29)
InChIKeyBVDMMGNRVLACEY-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.56
Rot. Bonds7

About N-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

N-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110596516) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110596516
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C24H28N4O3/c1-15(2)14-28-23(30)21(17-6-8-18(9-7-17)25-16(3)29)22(24(28)31)26-19-10-12-20(13-11-19)27(4)5/h6-13,15,26H,14H2,1-5H3,(H,25,29)
InChIKeyBVDMMGNRVLACEY-UHFFFAOYSA-N
XLogP3.56
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(4-fluoroanilino)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596517
N-[4-[4-[4-(dimethylamino)anilino]-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110596332
N-[4-[4-(3-fluoroanilino)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596519
3-(4-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110586482
N-[4-[4-ethylsulfanyl-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562992
N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide
CID 110562964
N-[4-(dimethylamino)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574686
3-[4-(dimethylamino)anilino]-4-phenyl-1-propylpyrrole-2,5-dione
CID 110594486
3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110589098
N-[4-[4-anilino-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596276
N-[4-[4-(3,4-dimethylanilino)-2,5-dioxo-1-(2-propan-2-yloxyethyl)pyrrol-3-yl]phenyl]acetamide
CID 110596486
3-[4-(dimethylamino)anilino]-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110586303

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110596516) is N-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(CC(C)C)C2=O)cc1.
What is the InChIKey of N-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is BVDMMGNRVLACEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15(2)14-28-23(30)21(17-6-8-18(9-7-17)25-16(3)29)22(24(28)31)26-19-10-12-20(13-11-19)27(4)5/h6-13,15,26H,14H2,1-5H3,(H,25,29).
What are the key properties of N-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110596516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).