N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide

C18H20N2O2 — CID 92659049

IUPACN-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2ccccc2C)cc1
InChIInChI=1S/C18H20N2O2/c1-3-12-22-17-10-8-15(9-11-17)18(21)20-19-13-16-7-5-4-6-14(16)2/h4-11,13H,3,12H2,1-2H3,(H,20,21)/b19-13-
InChIKeyFFRRGBQWFKPART-UYRXBGFRSA-N
MW296.37 g/mol
LogP3.55
Rot. Bonds6

About N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide

N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide (PubChem CID 92659049) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
PubChem CID92659049
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2ccccc2C)cc1
InChIInChI=1S/C18H20N2O2/c1-3-12-22-17-10-8-15(9-11-17)18(21)20-19-13-16-7-5-4-6-14(16)2/h4-11,13H,3,12H2,1-2H3,(H,20,21)/b19-13-
InChIKeyFFRRGBQWFKPART-UYRXBGFRSA-N
XLogP3.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932964
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
4-propoxy-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 133169686
N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 133169392
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide
CID 92658950
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169716
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide (CID 92659049) is N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C\c2ccccc2C)cc1.
What is the InChIKey of N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide?
The InChIKey is FFRRGBQWFKPART-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-12-22-17-10-8-15(9-11-17)18(21)20-19-13-16-7-5-4-6-14(16)2/h4-11,13H,3,12H2,1-2H3,(H,20,21)/b19-13-.
What are the key properties of N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide?
N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide has a molecular weight of 296.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 92659049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).