5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide

C16H18N4O2 — CID 4604645

IUPAC5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide
SMILESCN(C)c1ccc(C=NNC(=O)c2cc(N)ccc2O)cc1
InChIInChI=1S/C16H18N4O2/c1-20(2)13-6-3-11(4-7-13)10-18-19-16(22)14-9-12(17)5-8-15(14)21/h3-10,21H,17H2,1-2H3,(H,19,22)
InChIKeyRODYJWHHHKXMOO-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.80
Rot. Bonds4

About 5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide

5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 4604645) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide
PubChem CID4604645
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide
SMILESCN(C)c1ccc(C=NNC(=O)c2cc(N)ccc2O)cc1
InChIInChI=1S/C16H18N4O2/c1-20(2)13-6-3-11(4-7-13)10-18-19-16(22)14-9-12(17)5-8-15(14)21/h3-10,21H,17H2,1-2H3,(H,19,22)
InChIKeyRODYJWHHHKXMOO-UHFFFAOYSA-N
XLogP1.80
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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 5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide (CID 4604645) is 5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide is CN(C)c1ccc(C=NNC(=O)c2cc(N)ccc2O)cc1.
What is the InChIKey of 5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is RODYJWHHHKXMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-20(2)13-6-3-11(4-7-13)10-18-19-16(22)14-9-12(17)5-8-15(14)21/h3-10,21H,17H2,1-2H3,(H,19,22).
What are the key properties of 5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 298.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 4604645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).