N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide

C20H25N3O3 — CID 9215811

IUPACN-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N/N=C\c2ccc(N(C)CCO)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-15(2)26-19-10-6-17(7-11-19)20(25)22-21-14-16-4-8-18(9-5-16)23(3)12-13-24/h4-11,14-15,24H,12-13H2,1-3H3,(H,22,25)/b21-14-
InChIKeyKAZLHUPDFNNXGH-STZFKDTASA-N
MW355.44 g/mol
LogP2.67
Rot. Bonds8

About N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide

N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide (PubChem CID 9215811) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide
PubChem CID9215811
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N/N=C\c2ccc(N(C)CCO)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-15(2)26-19-10-6-17(7-11-19)20(25)22-21-14-16-4-8-18(9-5-16)23(3)12-13-24/h4-11,14-15,24H,12-13H2,1-3H3,(H,22,25)/b21-14-
InChIKeyKAZLHUPDFNNXGH-STZFKDTASA-N
XLogP2.67
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-N-hydroxy-1-N-[(E)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 44506545
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215270
4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
CID 75965267
N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]-4-(dimethylamino)benzamide
CID 6265781
2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide
CID 4666849
N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9015854
4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 1039675
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 19061065

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide (CID 9215811) is N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N/N=C\c2ccc(N(C)CCO)cc2)cc1.
What is the InChIKey of N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide?
The InChIKey is KAZLHUPDFNNXGH-STZFKDTASA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15(2)26-19-10-6-17(7-11-19)20(25)22-21-14-16-4-8-18(9-5-16)23(3)12-13-24/h4-11,14-15,24H,12-13H2,1-3H3,(H,22,25)/b21-14-.
What are the key properties of N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide?
N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide has a molecular weight of 355.44 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 9215811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).