N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide

C20H25N3O2 — CID 5426292

IUPACN-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2ccccc2C)c(OC)c1
InChIInChI=1S/C20H25N3O2/c1-5-23(6-2)17-12-11-16(19(13-17)25-4)14-21-22-20(24)18-10-8-7-9-15(18)3/h7-14H,5-6H2,1-4H3,(H,22,24)/b21-14-
InChIKeyRZGAWEYSFDSQDF-STZFKDTASA-N
MW339.44 g/mol
LogP3.61
Rot. Bonds7

About N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide

N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide (PubChem CID 5426292) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide
PubChem CID5426292
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2ccccc2C)c(OC)c1
InChIInChI=1S/C20H25N3O2/c1-5-23(6-2)17-12-11-16(19(13-17)25-4)14-21-22-20(24)18-10-8-7-9-15(18)3/h7-14H,5-6H2,1-4H3,(H,22,24)/b21-14-
InChIKeyRZGAWEYSFDSQDF-STZFKDTASA-N
XLogP3.61
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.61
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)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 6042268
N-[[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-N'-[(E)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]oxamide
CID 21214226
N'-[[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 4026615
N-[4-[[(2,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 74905812
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 19060943
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 135720024
2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 110337136
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3725484
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 135614851
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 5370784
N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide
CID 5456992

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide (CID 5426292) is N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide is CCN(CC)c1ccc(/C=N\NC(=O)c2ccccc2C)c(OC)c1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide?
The InChIKey is RZGAWEYSFDSQDF-STZFKDTASA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-23(6-2)17-12-11-16(19(13-17)25-4)14-21-22-20(24)18-10-8-7-9-15(18)3/h7-14H,5-6H2,1-4H3,(H,22,24)/b21-14-.
What are the key properties of N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide?
N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 5426292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).