N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide

C25H27N3O3 — CID 110562565

IUPACN-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
SMILESCCCCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCc3ccccc32)C1=O
InChIInChI=1S/C25H27N3O3/c1-3-4-7-15-28-24(30)22(19-10-12-20(13-11-19)26-17(2)29)23(25(28)31)27-16-14-18-8-5-6-9-21(18)27/h5-6,8-13H,3-4,7,14-16H2,1-2H3,(H,26,29)
InChIKeyWBNQUSTWFZNMBM-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.98
Rot. Bonds7

About N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide

N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide (PubChem CID 110562565) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
PubChem CID110562565
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
SMILESCCCCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCc3ccccc32)C1=O
InChIInChI=1S/C25H27N3O3/c1-3-4-7-15-28-24(30)22(19-10-12-20(13-11-19)26-17(2)29)23(25(28)31)27-16-14-18-8-5-6-9-21(18)27/h5-6,8-13H,3-4,7,14-16H2,1-2H3,(H,26,29)
InChIKeyWBNQUSTWFZNMBM-UHFFFAOYSA-N
XLogP3.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
CID 110562563
3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione
CID 110559989
N-[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
CID 110562551
N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562986
3-(2,3-dihydroindol-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
CID 110559397
1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560027
1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573052
N-[4-[1-butyl-4-(4-methylpiperazin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562585
N-[4-[4-(3,5-dimethylpiperidin-1-yl)-1-octyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563130
1-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546556
3-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)-1-(3-ethoxypropyl)pyrrole-2,5-dione
CID 110547121
N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563725

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide (CID 110562565) is N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide is CCCCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCc3ccccc32)C1=O.
What is the InChIKey of N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide?
The InChIKey is WBNQUSTWFZNMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-3-4-7-15-28-24(30)22(19-10-12-20(13-11-19)26-17(2)29)23(25(28)31)27-16-14-18-8-5-6-9-21(18)27/h5-6,8-13H,3-4,7,14-16H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide?
N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110562565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).