4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

C17H19N3O2 — CID 9215537

IUPAC4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(OC(C)C)cc1)c1ccccn1
InChIInChI=1S/C17H19N3O2/c1-12(2)22-15-9-7-14(8-10-15)17(21)20-19-13(3)16-6-4-5-11-18-16/h4-12H,1-3H3,(H,20,21)/b19-13-
InChIKeyZUYMKJXDWBYDMO-UYRXBGFRSA-N
MW297.36 g/mol
LogP3.02
Rot. Bonds5

About 4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (PubChem CID 9215537) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
PubChem CID9215537
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(OC(C)C)cc1)c1ccccn1
InChIInChI=1S/C17H19N3O2/c1-12(2)22-15-9-7-14(8-10-15)17(21)20-19-13(3)16-6-4-5-11-18-16/h4-12H,1-3H3,(H,20,21)/b19-13-
InChIKeyZUYMKJXDWBYDMO-UYRXBGFRSA-N
XLogP3.02
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.02
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-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 7934939
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9461008
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 155923428
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215396
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215676
2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9015476
3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 40532157
2-[3-[(Z)-C-methyl-N-[(4-propan-2-yloxybenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
CID 9215286

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The IUPAC name of 4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (CID 9215537) is 4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(OC(C)C)cc1)c1ccccn1.
What is the InChIKey of 4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The InChIKey is ZUYMKJXDWBYDMO-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12(2)22-15-9-7-14(8-10-15)17(21)20-19-13(3)16-6-4-5-11-18-16/h4-12H,1-3H3,(H,20,21)/b19-13-.
What are the key properties of 4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide has a molecular weight of 297.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is sourced from PubChem (CID 9215537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).