2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

C19H17N3O2 — CID 135699116

IUPAC2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H17N3O2/c23-18-11-10-14-6-4-5-9-16(14)17(18)12-21-22-19(24)13-20-15-7-2-1-3-8-15/h1-12,20,23H,13H2,(H,22,24)/b21-12+
InChIKeyMJPGAEDPSGLLSL-CIAFOILYSA-N
MW319.36 g/mol
LogP3.11
Rot. Bonds5

About 2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 135699116) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID135699116
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H17N3O2/c23-18-11-10-14-6-4-5-9-16(14)17(18)12-21-22-19(24)13-20-15-7-2-1-3-8-15/h1-12,20,23H,13H2,(H,22,24)/b21-12+
InChIKeyMJPGAEDPSGLLSL-CIAFOILYSA-N
XLogP3.11
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.11
H-Bond Donors ≤ 53
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 2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 135699116) is 2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is O=C(CNc1ccccc1)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is MJPGAEDPSGLLSL-CIAFOILYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-18-11-10-14-6-4-5-9-16(14)17(18)12-21-22-19(24)13-20-15-7-2-1-3-8-15/h1-12,20,23H,13H2,(H,22,24)/b21-12+.
What are the key properties of 2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 319.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 135699116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).