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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Related Compounds

2-[(2E)-2-[(1-butylindol-3-yl)methylidene]hydrazinyl]benzoate
CID 7346911
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
N-[(E)-(1-pentylindol-3-yl)methylideneamino]-1,3,4-thiadiazol-2-amine
CID 74763086
N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 25251365
[[1-[2-(4-hexoxyphenoxy)ethyl]indol-3-yl]methylideneamino]thiourea
CID 4218719
3-ethenyl-1-hexylindole
CID 141093384
N-[(1-benzylindol-3-yl)methylideneamino]-4-butoxybenzamide
CID 3483141
2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide
CID 110512121
N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]benzamide
CID 9058755
ethyl N-[(E)-[1-[2-(3,5-dimethylphenoxy)ethyl]indol-3-yl]methylideneamino]carbamate
CID 6883719
[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
CID 6107555

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).