N-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide

C26H34N4O4 — CID 91560127

IUPACN-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide
SMILESCC/C(=N\c1ccc(N(CCCN(C)C)C(C)=O)cc1)C1C(=O)Nc2cc(OC)c(OC)cc21
InChIInChI=1S/C26H34N4O4/c1-7-21(25-20-15-23(33-5)24(34-6)16-22(20)28-26(25)32)27-18-9-11-19(12-10-18)30(17(2)31)14-8-13-29(3)4/h9-12,15-16,25H,7-8,13-14H2,1-6H3,(H,28,32)/b27-21+
InChIKeyFVBJEBQDIIKSKI-SZXQPVLSSA-N
MW466.58 g/mol
LogP4.23
Rot. Bonds10

About N-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide

N-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 91560127) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide
PubChem CID91560127
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC NameN-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide
SMILESCC/C(=N\c1ccc(N(CCCN(C)C)C(C)=O)cc1)C1C(=O)Nc2cc(OC)c(OC)cc21
InChIInChI=1S/C26H34N4O4/c1-7-21(25-20-15-23(33-5)24(34-6)16-22(20)28-26(25)32)27-18-9-11-19(12-10-18)30(17(2)31)14-8-13-29(3)4/h9-12,15-16,25H,7-8,13-14H2,1-6H3,(H,28,32)/b27-21+
InChIKeyFVBJEBQDIIKSKI-SZXQPVLSSA-N
XLogP4.23
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of N-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide (CID 91560127) is N-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for N-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for N-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide is CC/C(=N\c1ccc(N(CCCN(C)C)C(C)=O)cc1)C1C(=O)Nc2cc(OC)c(OC)cc21.
What is the InChIKey of N-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is FVBJEBQDIIKSKI-SZXQPVLSSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-7-21(25-20-15-23(33-5)24(34-6)16-22(20)28-26(25)32)27-18-9-11-19(12-10-18)30(17(2)31)14-8-13-29(3)4/h9-12,15-16,25H,7-8,13-14H2,1-6H3,(H,28,32)/b27-21+.
What are the key properties of N-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide?
N-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 466.58 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)propylideneamino]phenyl]-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 91560127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).