5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one

C22H25N3O2 — CID 91303910

IUPAC5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
SMILESCC(=O)c1ccc2c(c1)C(/C(=N/CCCN(C)C)c1ccccc1)C(=O)N2
InChIInChI=1S/C22H25N3O2/c1-15(26)17-10-11-19-18(14-17)20(22(27)24-19)21(16-8-5-4-6-9-16)23-12-7-13-25(2)3/h4-6,8-11,14,20H,7,12-13H2,1-3H3,(H,24,27)/b23-21+
InChIKeyNREZXPGIWXNBQD-XTQSDGFTSA-N
MW363.46 g/mol
LogP3.37
Rot. Bonds7

About 5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one

5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one (PubChem CID 91303910) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
PubChem CID91303910
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
SMILESCC(=O)c1ccc2c(c1)C(/C(=N/CCCN(C)C)c1ccccc1)C(=O)N2
InChIInChI=1S/C22H25N3O2/c1-15(26)17-10-11-19-18(14-17)20(22(27)24-19)21(16-8-5-4-6-9-16)23-12-7-13-25(2)3/h4-6,8-11,14,20H,7,12-13H2,1-3H3,(H,24,27)/b23-21+
InChIKeyNREZXPGIWXNBQD-XTQSDGFTSA-N
XLogP3.37
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 91152246
5-acetyl-3-[N-(4-methylpiperazin-1-yl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 91250525
3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 57206579
N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide
CID 11372625
N-[2-(dimethylamino)ethyl]-N-[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
CID 90969951
3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide
CID 57063988
4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
CID 90948774
methyl 3-[N-[4-[[3-(dimethylamino)propyl-methylamino]methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91615607
[3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl] hydrogen carbonate
CID 56996639
3-[N-[4-[2-(dimethylamino)ethylamino]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1,3-dihydroindol-2-one
CID 91606790
methyl 3-[N-[4-[[3-(dimethylamino)propylamino]methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 90711367
N-butyl-N-methyl-2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide
CID 123614996

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one (CID 91303910) is 5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one is CC(=O)c1ccc2c(c1)C(/C(=N/CCCN(C)C)c1ccccc1)C(=O)N2.
What is the InChIKey of 5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
The InChIKey is NREZXPGIWXNBQD-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(26)17-10-11-19-18(14-17)20(22(27)24-19)21(16-8-5-4-6-9-16)23-12-7-13-25(2)3/h4-6,8-11,14,20H,7,12-13H2,1-3H3,(H,24,27)/b23-21+.
What are the key properties of 5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[N-[3-(dimethylamino)propyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91303910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).