3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol

C19H20N2O2 — CID 86598364

IUPAC3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol
SMILESOCCCON=Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H20N2O2/c22-11-6-12-23-20-13-17-15-21(14-16-7-2-1-3-8-16)19-10-5-4-9-18(17)19/h1-5,7-10,13,15,22H,6,11-12,14H2
InChIKeyRXNIZLVVZNGOPH-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.42
Rot. Bonds7

About 3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol

3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol (PubChem CID 86598364) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol.

Molecular Properties

Compound Name3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol
PubChem CID86598364
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol
SMILESOCCCON=Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H20N2O2/c22-11-6-12-23-20-13-17-15-21(14-16-7-2-1-3-8-16)19-10-5-4-9-18(17)19/h1-5,7-10,13,15,22H,6,11-12,14H2
InChIKeyRXNIZLVVZNGOPH-UHFFFAOYSA-N
XLogP3.42
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.42
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol with MolForge

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Related Compounds

methyl 4-[[(Z)-(1-benzylindol-3-yl)methylideneamino]oxymethyl]-2-bromobenzoate
CID 86598366
(1-benzylindol-3-yl)-deuteriomethanone
CID 176774794
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide
CID 23476926
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine
CID 3972019
N-[(1-benzylindol-3-yl)methylideneamino]-4-butoxybenzamide
CID 3483141
4-(1-benzylindol-3-yl)but-3-en-2-one
CID 2775547
2-(1-benzylindol-3-yl)ethanol
CID 13134935
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
CID 5414915
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126150640
4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide
CID 24818537
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
4-[(1E,6E)-7-(1-benzylindol-3-yl)hepta-1,6-dienyl]phenol
CID 141206108

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol?
The IUPAC name of 3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol (CID 86598364) is 3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol.
What is the SMILES notation for 3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol?
The canonical SMILES for 3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol is OCCCON=Cc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol?
The InChIKey is RXNIZLVVZNGOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-11-6-12-23-20-13-17-15-21(14-16-7-2-1-3-8-16)19-10-5-4-9-18(17)19/h1-5,7-10,13,15,22H,6,11-12,14H2.
What are the key properties of 3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol?
3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol has a molecular weight of 308.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol is sourced from PubChem (CID 86598364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).