3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one

C24H31N3O3 — CID 90945311

IUPAC3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one
SMILESCC/C(=N\c1ccc(CCCN(C)C)cc1)C1C(=O)Nc2cc(OC)c(OC)cc21
InChIInChI=1S/C24H31N3O3/c1-6-19(25-17-11-9-16(10-12-17)8-7-13-27(2)3)23-18-14-21(29-4)22(30-5)15-20(18)26-24(23)28/h9-12,14-15,23H,6-8,13H2,1-5H3,(H,26,28)/b25-19+
InChIKeyFKVCWTGYPLPRGZ-NCELDCMTSA-N
MW409.53 g/mol
LogP4.42
Rot. Bonds9

About 3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one

3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one (PubChem CID 90945311) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one
PubChem CID90945311
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one
SMILESCC/C(=N\c1ccc(CCCN(C)C)cc1)C1C(=O)Nc2cc(OC)c(OC)cc21
InChIInChI=1S/C24H31N3O3/c1-6-19(25-17-11-9-16(10-12-17)8-7-13-27(2)3)23-18-14-21(29-4)22(30-5)15-20(18)26-24(23)28/h9-12,14-15,23H,6-8,13H2,1-5H3,(H,26,28)/b25-19+
InChIKeyFKVCWTGYPLPRGZ-NCELDCMTSA-N
XLogP4.42
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[N-[4-[[benzyl(ethyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one
CID 91331682
5,6-diethoxy-3-[N-[4-[[ethyl(propyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 91584106
methyl 3-[4-[N-[4-[acetyl-[3-(dimethylamino)propyl]amino]phenyl]-C-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbonimidoyl]phenyl]propanoate
CID 91311298
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-(3,4-dimethoxyphenyl)methylidene]amino]phenyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 90944252
methyl 3-[N-[4-[[3-(dimethylamino)propyl-methylamino]methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91615607
methyl 3-[N-[4-[[3-(dimethylamino)propylamino]methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 90711367
5,6-dimethoxy-3-[C-phenyl-N-(4-pyridin-2-ylphenyl)carbonimidoyl]-1,3-dihydroindol-2-one
CID 91399416
3-amino-N-[4-[[(5,6-diethoxy-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-methylpropanamide
CID 91239726
4-[[(5,6-diethoxy-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzoic acid
CID 91002498
5,6-diethoxy-3-[C-phenyl-N-[4-(propylaminomethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-2-one
CID 91603378
4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
CID 90948774
N-[4-[[(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 91287835

Frequently Asked Questions

What is the IUPAC name of 3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one?
The IUPAC name of 3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one (CID 90945311) is 3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one is CC/C(=N\c1ccc(CCCN(C)C)cc1)C1C(=O)Nc2cc(OC)c(OC)cc21.
What is the InChIKey of 3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one?
The InChIKey is FKVCWTGYPLPRGZ-NCELDCMTSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-6-19(25-17-11-9-16(10-12-17)8-7-13-27(2)3)23-18-14-21(29-4)22(30-5)15-20(18)26-24(23)28/h9-12,14-15,23H,6-8,13H2,1-5H3,(H,26,28)/b25-19+.
What are the key properties of 3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one?
3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one has a molecular weight of 409.53 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-ethylcarbonimidoyl]-5,6-dimethoxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 90945311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).