2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide

C15H15N3O3 — CID 135765525

IUPAC2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C15H15N3O3/c19-13-7-6-11(8-14(13)20)9-17-18-15(21)10-16-12-4-2-1-3-5-12/h1-9,16,19-20H,10H2,(H,18,21)/b17-9+
InChIKeyCWRUTGQUQZFVCX-RQZCQDPDSA-N
MW285.30 g/mol
LogP1.66
Rot. Bonds5

About 2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide

2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide (PubChem CID 135765525) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
PubChem CID135765525
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C15H15N3O3/c19-13-7-6-11(8-14(13)20)9-17-18-15(21)10-16-12-4-2-1-3-5-12/h1-9,16,19-20H,10H2,(H,18,21)/b17-9+
InChIKeyCWRUTGQUQZFVCX-RQZCQDPDSA-N
XLogP1.66
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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)-(3,4-dihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide (CID 135765525) is 2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide is O=C(CNc1ccccc1)N/N=C/c1ccc(O)c(O)c1.
What is the InChIKey of 2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is CWRUTGQUQZFVCX-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-13-7-6-11(8-14(13)20)9-17-18-15(21)10-16-12-4-2-1-3-5-12/h1-9,16,19-20H,10H2,(H,18,21)/b17-9+.
What are the key properties of 2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide?
2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 285.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135765525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).