N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide

C19H23N3O2 — CID 135643371

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)Cc2ccccc2)c(O)c1
InChIInChI=1S/C19H23N3O2/c1-3-22(4-2)17-11-10-16(18(23)13-17)14-20-21-19(24)12-15-8-6-5-7-9-15/h5-11,13-14,23H,3-4,12H2,1-2H3,(H,21,24)/b20-14+
InChIKeyFQVGEMAQSAUBJK-XSFVSMFZSA-N
MW325.41 g/mol
LogP2.93
Rot. Bonds7

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide (PubChem CID 135643371) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide
PubChem CID135643371
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)Cc2ccccc2)c(O)c1
InChIInChI=1S/C19H23N3O2/c1-3-22(4-2)17-11-10-16(18(23)13-17)14-20-21-19(24)12-15-8-6-5-7-9-15/h5-11,13-14,23H,3-4,12H2,1-2H3,(H,21,24)/b20-14+
InChIKeyFQVGEMAQSAUBJK-XSFVSMFZSA-N
XLogP2.93
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Gsk-9089
CID 5497124
n'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
Acyl Hydrazone, 10
CID 11404599
N-[[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 644030
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
2-Hydroxy-4-diethylaminobenzaldehyde 4-tert-butyl-benzoyl hydrazone
CID 135470886
5-(Diethylamino)-2-[(phenylimino)methyl]phenol
CID 641174
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-4-hydroxybenzohydrazide
CID 6864965
Benzylidenehydrazine derivative, 13
CID 135922678
L-Tyrosine, [[4-[bis(2-chloroethyl)amino]phenyl]methylene]hydrazide
CID 256179
7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
CID 44582799
N'-[4-(diethylamino)-2-hydroxybenzylidene]-4-nitrobenzohydrazide
CID 135400305

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide (CID 135643371) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide is CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccccc2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide?
The InChIKey is FQVGEMAQSAUBJK-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-22(4-2)17-11-10-16(18(23)13-17)14-20-21-19(24)12-15-8-6-5-7-9-15/h5-11,13-14,23H,3-4,12H2,1-2H3,(H,21,24)/b20-14+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide has a molecular weight of 325.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 135643371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).