N-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide

C17H23N3O2 — CID 39818836

IUPACN-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide
SMILESCCCCn1cc(/C=N\NC(=O)C(C)(C)O)c2ccccc21
InChIInChI=1S/C17H23N3O2/c1-4-5-10-20-12-13(14-8-6-7-9-15(14)20)11-18-19-16(21)17(2,3)22/h6-9,11-12,22H,4-5,10H2,1-3H3,(H,19,21)/b18-11-
InChIKeyFXFRXKCBAQUIBS-WQRHYEAKSA-N
MW301.39 g/mol
LogP2.66
Rot. Bonds6

About N-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide

N-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide (PubChem CID 39818836) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide
PubChem CID39818836
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide
SMILESCCCCn1cc(/C=N\NC(=O)C(C)(C)O)c2ccccc21
InChIInChI=1S/C17H23N3O2/c1-4-5-10-20-12-13(14-8-6-7-9-15(14)20)11-18-19-16(21)17(2,3)22/h6-9,11-12,22H,4-5,10H2,1-3H3,(H,19,21)/b18-11-
InChIKeyFXFRXKCBAQUIBS-WQRHYEAKSA-N
XLogP2.66
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide (CID 39818836) is N-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide is CCCCn1cc(/C=N\NC(=O)C(C)(C)O)c2ccccc21.
What is the InChIKey of N-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide?
The InChIKey is FXFRXKCBAQUIBS-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-5-10-20-12-13(14-8-6-7-9-15(14)20)11-18-19-16(21)17(2,3)22/h6-9,11-12,22H,4-5,10H2,1-3H3,(H,19,21)/b18-11-.
What are the key properties of N-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide?
N-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide has a molecular weight of 301.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-butylindol-3-yl)methylideneamino]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 39818836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).