N-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide

C20H25N3O2 — CID 2189621

IUPACN-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide
SMILESCCCN(CCC)c1ccc(C=NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C20H25N3O2/c1-3-13-23(14-4-2)17-11-9-16(10-12-17)15-21-22-20(25)18-7-5-6-8-19(18)24/h5-12,15,24H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyNWUHGODIHLYTGB-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.78
Rot. Bonds8

About N-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide

N-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 2189621) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide
PubChem CID2189621
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide
SMILESCCCN(CCC)c1ccc(C=NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C20H25N3O2/c1-3-13-23(14-4-2)17-11-9-16(10-12-17)15-21-22-20(25)18-7-5-6-8-19(18)24/h5-12,15,24H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyNWUHGODIHLYTGB-UHFFFAOYSA-N
XLogP3.78
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', '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-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide (CID 2189621) is N-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide is CCCN(CCC)c1ccc(C=NNC(=O)c2ccccc2O)cc1.
What is the InChIKey of N-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is NWUHGODIHLYTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-13-23(14-4-2)17-11-9-16(10-12-17)15-21-22-20(25)18-7-5-6-8-19(18)24/h5-12,15,24H,3-4,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
N-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dipropylamino)phenyl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 2189621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).