4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide

C26H31N3O4 — CID 19351076

IUPAC4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
SMILESCCCN(CCC)Cc1ccc2cc(CONC(=O)c3ccc(C(=O)NO)cc3)ccc2c1
InChIInChI=1S/C26H31N3O4/c1-3-13-29(14-4-2)17-19-5-7-24-16-20(6-8-23(24)15-19)18-33-28-26(31)22-11-9-21(10-12-22)25(30)27-32/h5-12,15-16,32H,3-4,13-14,17-18H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyIVWUAPIJORXHLE-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.44
Rot. Bonds11

About 4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide

4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 19351076) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID19351076
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
SMILESCCCN(CCC)Cc1ccc2cc(CONC(=O)c3ccc(C(=O)NO)cc3)ccc2c1
InChIInChI=1S/C26H31N3O4/c1-3-13-29(14-4-2)17-19-5-7-24-16-20(6-8-23(24)15-19)18-33-28-26(31)22-11-9-21(10-12-22)25(30)27-32/h5-12,15-16,32H,3-4,13-14,17-18H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyIVWUAPIJORXHLE-UHFFFAOYSA-N
XLogP4.44
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide (CID 19351076) is 4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide is CCCN(CCC)Cc1ccc2cc(CONC(=O)c3ccc(C(=O)NO)cc3)ccc2c1.
What is the InChIKey of 4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is IVWUAPIJORXHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-3-13-29(14-4-2)17-19-5-7-24-16-20(6-8-23(24)15-19)18-33-28-26(31)22-11-9-21(10-12-22)25(30)27-32/h5-12,15-16,32H,3-4,13-14,17-18H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 449.55 g/mol, XLogP of 4.44, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 19351076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).