N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide

C16H18N2O3 — CID 6266401

IUPACN-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccccc2OC(C)C)o1
InChIInChI=1S/C16H18N2O3/c1-11(2)20-15-7-5-4-6-14(15)16(19)18-17-10-13-9-8-12(3)21-13/h4-11H,1-3H3,(H,18,19)/b17-10-
InChIKeyIHNQAHJPXIMISN-YVLHZVERSA-N
MW286.33 g/mol
LogP3.14
Rot. Bonds5

About N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide

N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide (PubChem CID 6266401) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide
PubChem CID6266401
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccccc2OC(C)C)o1
InChIInChI=1S/C16H18N2O3/c1-11(2)20-15-7-5-4-6-14(15)16(19)18-17-10-13-9-8-12(3)21-13/h4-11H,1-3H3,(H,18,19)/b17-10-
InChIKeyIHNQAHJPXIMISN-YVLHZVERSA-N
XLogP3.14
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
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

N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 5052209
2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6898812
2-fluoro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6907963
2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 757986
2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110505830
2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2852290
N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 2852741
2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 19061065
1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523278
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-propan-2-yloxybenzamide
CID 6245447
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide (CID 6266401) is N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide is Cc1ccc(/C=N\NC(=O)c2ccccc2OC(C)C)o1.
What is the InChIKey of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide?
The InChIKey is IHNQAHJPXIMISN-YVLHZVERSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(2)20-15-7-5-4-6-14(15)16(19)18-17-10-13-9-8-12(3)21-13/h4-11H,1-3H3,(H,18,19)/b17-10-.
What are the key properties of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide?
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 6266401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).