N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide

C18H20N2O3 — CID 9215527

IUPACN-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13(2)23-17-10-6-15(7-11-17)18(21)20-19-12-14-4-8-16(22-3)9-5-14/h4-13H,1-3H3,(H,20,21)/b19-12-
InChIKeyVSVPEUOLOIGMRP-UNOMPAQXSA-N
MW312.37 g/mol
LogP3.25
Rot. Bonds6

About N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide

N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide (PubChem CID 9215527) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
PubChem CID9215527
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13(2)23-17-10-6-15(7-11-17)18(21)20-19-12-14-4-8-16(22-3)9-5-14/h4-13H,1-3H3,(H,20,21)/b19-12-
InChIKeyVSVPEUOLOIGMRP-UNOMPAQXSA-N
XLogP3.25
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.25
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)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215270
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
4-methoxy-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 40551611
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215777
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5404625
4-methoxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5338338
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110505830

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide (CID 9215527) is N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide is COc1ccc(/C=N\NC(=O)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide?
The InChIKey is VSVPEUOLOIGMRP-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(2)23-17-10-6-15(7-11-17)18(21)20-19-12-14-4-8-16(22-3)9-5-14/h4-13H,1-3H3,(H,20,21)/b19-12-.
What are the key properties of N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide?
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide has a molecular weight of 312.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 9215527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).