4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide

C16H17N3O3 — CID 143915678

IUPAC4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2cccc(OCCO)c2)cc1
InChIInChI=1S/C16H17N3O3/c17-14-6-4-13(5-7-14)16(21)19-18-11-12-2-1-3-15(10-12)22-9-8-20/h1-7,10-11,20H,8-9,17H2,(H,19,21)/b18-11+
InChIKeyKPQAPUZYYCPOTF-WOJGMQOQSA-N
MW299.33 g/mol
LogP1.40
Rot. Bonds6

About 4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide

4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide (PubChem CID 143915678) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide
PubChem CID143915678
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2cccc(OCCO)c2)cc1
InChIInChI=1S/C16H17N3O3/c17-14-6-4-13(5-7-14)16(21)19-18-11-12-2-1-3-15(10-12)22-9-8-20/h1-7,10-11,20H,8-9,17H2,(H,19,21)/b18-11+
InChIKeyKPQAPUZYYCPOTF-WOJGMQOQSA-N
XLogP1.40
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

4-amino-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 9034423
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
N-[(E)-(3-butoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 110340461
4-amino-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 42995119
N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide
CID 6082472
4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 9016622
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
4-amino-N-[(Z)-[3-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]-5-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98297741
2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340423
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
ethyl 2-[3-[(E)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 17246379
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide (CID 143915678) is 4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide is Nc1ccc(C(=O)N/N=C/c2cccc(OCCO)c2)cc1.
What is the InChIKey of 4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide?
The InChIKey is KPQAPUZYYCPOTF-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17N3O3/c17-14-6-4-13(5-7-14)16(21)19-18-11-12-2-1-3-15(10-12)22-9-8-20/h1-7,10-11,20H,8-9,17H2,(H,19,21)/b18-11+.
What are the key properties of 4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide?
4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide has a molecular weight of 299.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 143915678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).