3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide

C25H23N3O2 — CID 57063988

IUPAC3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)C(/C(=N/c1ccccc1)c1ccccc1)C(=O)N2
InChIInChI=1S/C25H23N3O2/c1-2-15-26-24(29)18-13-14-21-20(16-18)22(25(30)28-21)23(17-9-5-3-6-10-17)27-19-11-7-4-8-12-19/h3-14,16,22H,2,15H2,1H3,(H,26,29)(H,28,30)/b27-23+
InChIKeyPKYVVTYGIHEXCS-SLEBQGDGSA-N
MW397.48 g/mol
LogP4.68
Rot. Bonds6

About 3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide

3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide (PubChem CID 57063988) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide
PubChem CID57063988
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)C(/C(=N/c1ccccc1)c1ccccc1)C(=O)N2
InChIInChI=1S/C25H23N3O2/c1-2-15-26-24(29)18-13-14-21-20(16-18)22(25(30)28-21)23(17-9-5-3-6-10-17)27-19-11-7-4-8-12-19/h3-14,16,22H,2,15H2,1H3,(H,26,29)(H,28,30)/b27-23+
InChIKeyPKYVVTYGIHEXCS-SLEBQGDGSA-N
XLogP4.68
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-methylcarbonimidoyl]-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide
CID 91244098
3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 57206579
5-acetyl-3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 91152246
4-[[(5,6-diethoxy-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzoic acid
CID 91002498
[3-[N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-6-yl] methyl carbonate
CID 91500670
5,6-diethoxy-3-[C-phenyl-N-[4-(propylaminomethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-2-one
CID 91603378
N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide
CID 91350011
3-[N-[4-[2-(dimethylamino)ethylamino]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1,3-dihydroindol-2-one
CID 91606790
ethyl 4-[[(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzoate
CID 91146602
methyl 3-[N-[4-[2-(ethylamino)ethyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91453626
ethyl 3-[N-(4-methylphenyl)-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91444861
methyl 3-[N-(4-carbamoylphenyl)-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91376806

Frequently Asked Questions

What is the IUPAC name of 3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide?
The IUPAC name of 3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide (CID 57063988) is 3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for 3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide is CCCNC(=O)c1ccc2c(c1)C(/C(=N/c1ccccc1)c1ccccc1)C(=O)N2.
What is the InChIKey of 3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide?
The InChIKey is PKYVVTYGIHEXCS-SLEBQGDGSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-15-26-24(29)18-13-14-21-20(16-18)22(25(30)28-21)23(17-9-5-3-6-10-17)27-19-11-7-4-8-12-19/h3-14,16,22H,2,15H2,1H3,(H,26,29)(H,28,30)/b27-23+.
What are the key properties of 3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide?
3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(C,N-diphenylcarbonimidoyl)-2-oxo-N-propyl-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 57063988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).