N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide

C28H24N4O3 — CID 3312378

IUPACN-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide
SMILESO=C(/N=N/c1c(O)n(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc12)c1ccco1
InChIInChI=1S/C28H24N4O3/c33-27(25-16-9-17-35-25)30-29-26-23-14-7-8-15-24(23)32(28(26)34)20-31(18-21-10-3-1-4-11-21)19-22-12-5-2-6-13-22/h1-17,34H,18-20H2/b30-29+
InChIKeyGULXSJZQNHQMRM-QVIHXGFCSA-N
MW464.53 g/mol
LogP6.52
Rot. Bonds8

About N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide

N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide (PubChem CID 3312378) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide
PubChem CID3312378
Molecular FormulaC28H24N4O3
Molecular Weight464.53 g/mol
Exact Mass464.18
IUPAC NameN-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide
SMILESO=C(/N=N/c1c(O)n(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc12)c1ccco1
InChIInChI=1S/C28H24N4O3/c33-27(25-16-9-17-35-25)30-29-26-23-14-7-8-15-24(23)32(28(26)34)20-31(18-21-10-3-1-4-11-21)19-22-12-5-2-6-13-22/h1-17,34H,18-20H2/b30-29+
InChIKeyGULXSJZQNHQMRM-QVIHXGFCSA-N
XLogP6.52
TPSA83.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(3Z)-1-Hexyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-methoxybenzohydrazide
CID 135881484
2-furyl-N-[(1-methyl-2-oxobenzo[d]azolidin-3-ylidene)azamethyl]carboxamide
CID 674570
N'-[(3Z)-1-(3-methylbutyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]furan-2-carbohydrazide
CID 719461
Furan-2-carboxylic acid (2-oxo-1,2-dihydro-indol-3-ylidene)-hydrazide
CID 727719
N-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]furan-2-carboxamide
CID 829560
(Z)-N-(2-(2-(1-methyl-2-oxoindolin-3-ylidene)hydrazinyl)-2-oxoethyl)furan-2-carboxamide
CID 917380
(Z)-N-(2-oxo-2-(2-(2-oxo-1-phenethylindolin-3-ylidene)hydrazinyl)ethyl)furan-2-carboxamide
CID 1418564
(Z)-N'-(1-butyl-2-oxoindolin-3-ylidene)furan-2-carbohydrazide
CID 1972676
2-methyl-N'-[(3E)-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]furan-3-carbohydrazide
CID 2453507
N-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide
CID 917064
(E)-3-(furan-2-yl)-N-[2-oxo-2-[2-(2-oxoindol-3-yl)hydrazinyl]ethyl]prop-2-enamide
CID 1650543
(2E)-N-{2-[(2E)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-2-oxoethyl}-3-(furan-2-yl)prop-2-enamide (non-preferred name)
CID 1903107

Frequently Asked Questions

What is the IUPAC name of N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide?
The IUPAC name of N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide (CID 3312378) is N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide.
What is the SMILES notation for N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide?
The canonical SMILES for N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide is O=C(/N=N/c1c(O)n(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc12)c1ccco1.
What is the InChIKey of N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide?
The InChIKey is GULXSJZQNHQMRM-QVIHXGFCSA-N. The full InChI is InChI=1S/C28H24N4O3/c33-27(25-16-9-17-35-25)30-29-26-23-14-7-8-15-24(23)32(28(26)34)20-31(18-21-10-3-1-4-11-21)19-22-12-5-2-6-13-22/h1-17,34H,18-20H2/b30-29+.
What are the key properties of N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide?
N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 6.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide is sourced from PubChem (CID 3312378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).