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

C18H20N2O2 — CID 92658946

IUPACN-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-3-12-22-17-10-8-16(9-11-17)18(21)20-19-13-15-6-4-14(2)5-7-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/b19-13-
InChIKeyGLTFUQQZOWRNTO-UYRXBGFRSA-N
MW296.37 g/mol
LogP3.55
Rot. Bonds6

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

N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide (PubChem CID 92658946) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
PubChem CID92658946
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-3-12-22-17-10-8-16(9-11-17)18(21)20-19-13-15-6-4-14(2)5-7-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/b19-13-
InChIKeyGLTFUQQZOWRNTO-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

4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
methyl 2-[4-[(E)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 133169409
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4927373
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 133169560
[4-[(E)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 51061973
[4-[[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 4077367
N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8896208
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847
3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 126322648

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide (CID 92658946) is N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C\c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide?
The InChIKey is GLTFUQQZOWRNTO-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-12-22-17-10-8-16(9-11-17)18(21)20-19-13-15-6-4-14(2)5-7-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/b19-13-.
What are the key properties of N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide?
N-[(Z)-(4-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)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 92658946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).