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

C18H21N3O2 — CID 135472455

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C18H21N3O2/c1-3-21(4-2)16-11-10-15(17(22)12-16)13-19-20-18(23)14-8-6-5-7-9-14/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13+
InChIKeyDYYSVLVFUSWENK-CPNJWEJPSA-N
MW311.38 g/mol
LogP3.00
Rot. Bonds6

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

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide (PubChem CID 135472455) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
PubChem CID135472455
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C18H21N3O2/c1-3-21(4-2)16-11-10-15(17(22)12-16)13-19-20-18(23)14-8-6-5-7-9-14/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13+
InChIKeyDYYSVLVFUSWENK-CPNJWEJPSA-N
XLogP3.00
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.00
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide (CID 135472455) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
The InChIKey is DYYSVLVFUSWENK-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-21(4-2)16-11-10-15(17(22)12-16)13-19-20-18(23)14-8-6-5-7-9-14/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide has a molecular weight of 311.38 g/mol, XLogP of 3.00, 6 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]benzamide is sourced from PubChem (CID 135472455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).