4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide

C22H23N3O4 — CID 19351103

IUPAC4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
SMILESCN(C)Cc1cccc2c(CONC(=O)c3ccc(C(=O)NO)cc3)cccc12
InChIInChI=1S/C22H23N3O4/c1-25(2)13-17-5-3-8-20-18(6-4-7-19(17)20)14-29-24-22(27)16-11-9-15(10-12-16)21(26)23-28/h3-12,28H,13-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyWQVXPPAPSGQDOO-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.88
Rot. Bonds7

About 4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide

4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 19351103) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID19351103
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
SMILESCN(C)Cc1cccc2c(CONC(=O)c3ccc(C(=O)NO)cc3)cccc12
InChIInChI=1S/C22H23N3O4/c1-25(2)13-17-5-3-8-20-18(6-4-7-19(17)20)14-29-24-22(27)16-11-9-15(10-12-16)21(26)23-28/h3-12,28H,13-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyWQVXPPAPSGQDOO-UHFFFAOYSA-N
XLogP2.88
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.88
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-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide (CID 19351103) is 4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide is CN(C)Cc1cccc2c(CONC(=O)c3ccc(C(=O)NO)cc3)cccc12.
What is the InChIKey of 4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is WQVXPPAPSGQDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-25(2)13-17-5-3-8-20-18(6-4-7-19(17)20)14-29-24-22(27)16-11-9-15(10-12-16)21(26)23-28/h3-12,28H,13-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 19351103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).