4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide

C26H31N3O4 — CID 19351080

IUPAC4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
SMILESCCC(c1ccc(CONC(=O)c2ccc(C(=O)NO)cc2)c2ccccc12)N(CC)CC
InChIInChI=1S/C26H31N3O4/c1-4-24(29(5-2)6-3)23-16-15-20(21-9-7-8-10-22(21)23)17-33-28-26(31)19-13-11-18(12-14-19)25(30)27-32/h7-16,24,32H,4-6,17H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyFUBVFMFOPYUCBJ-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.61
Rot. Bonds10

About 4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide

4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 19351080) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID19351080
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
SMILESCCC(c1ccc(CONC(=O)c2ccc(C(=O)NO)cc2)c2ccccc12)N(CC)CC
InChIInChI=1S/C26H31N3O4/c1-4-24(29(5-2)6-3)23-16-15-20(21-9-7-8-10-22(21)23)17-33-28-26(31)19-13-11-18(12-14-19)25(30)27-32/h7-16,24,32H,4-6,17H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyFUBVFMFOPYUCBJ-UHFFFAOYSA-N
XLogP4.61
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.61
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide (CID 19351080) is 4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide is CCC(c1ccc(CONC(=O)c2ccc(C(=O)NO)cc2)c2ccccc12)N(CC)CC.
What is the InChIKey of 4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is FUBVFMFOPYUCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-4-24(29(5-2)6-3)23-16-15-20(21-9-7-8-10-22(21)23)17-33-28-26(31)19-13-11-18(12-14-19)25(30)27-32/h7-16,24,32H,4-6,17H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 449.55 g/mol, XLogP of 4.61, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 19351080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).