N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide

C20H20N2O2 — CID 136709035

IUPACN-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide
SMILESCCCC/C(=N\C(=O)c1ccccc1)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C20H20N2O2/c1-2-3-12-17(22-19(23)14-9-5-4-6-10-14)18-15-11-7-8-13-16(15)21-20(18)24/h4-11,13,21,24H,2-3,12H2,1H3/b22-17+
InChIKeyBQIQDYQQLQFCFZ-OQKWZONESA-N
MW320.39 g/mol
LogP4.69
Rot. Bonds5

About N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide

N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide (PubChem CID 136709035) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide
PubChem CID136709035
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide
SMILESCCCC/C(=N\C(=O)c1ccccc1)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C20H20N2O2/c1-2-3-12-17(22-19(23)14-9-5-4-6-10-14)18-15-11-7-8-13-16(15)21-20(18)24/h4-11,13,21,24H,2-3,12H2,1H3/b22-17+
InChIKeyBQIQDYQQLQFCFZ-OQKWZONESA-N
XLogP4.69
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide
CID 154113699
1-(2-hydroxy-1H-indol-3-yl)propan-1-one
CID 15650287
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
lithium N-hexyl-1-phenylbutan-1-imine
CID 87755277
3-(N-ethyl-C-methylcarbonimidoyl)-1H-indol-2-ol
CID 141126258
N-(1-phenylpentylideneamino)octanamide
CID 4676930
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
1-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]ethanone
CID 135622117
1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one
CID 10967536
N-benzyl-1-phenylpentan-1-imine
CID 20688068
9H-carbazole;propanoic acid
CID 68841226
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide?
The IUPAC name of N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide (CID 136709035) is N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide.
What is the SMILES notation for N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide?
The canonical SMILES for N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide is CCCC/C(=N\C(=O)c1ccccc1)c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide?
The InChIKey is BQIQDYQQLQFCFZ-OQKWZONESA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-3-12-17(22-19(23)14-9-5-4-6-10-14)18-15-11-7-8-13-16(15)21-20(18)24/h4-11,13,21,24H,2-3,12H2,1H3/b22-17+.
What are the key properties of N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide?
N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide has a molecular weight of 320.39 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide is sourced from PubChem (CID 136709035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).