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

C23H25N3O4 — CID 19351101

IUPAC4-N-[1-[4-[(dimethylamino)methyl]naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
SMILESCC(ONC(=O)c1ccc(C(=O)NO)cc1)c1ccc(CN(C)C)c2ccccc12
InChIInChI=1S/C23H25N3O4/c1-15(30-25-23(28)17-10-8-16(9-11-17)22(27)24-29)19-13-12-18(14-26(2)3)20-6-4-5-7-21(19)20/h4-13,15,29H,14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyVNADWQIEBYTMGY-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.44
Rot. Bonds7

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

4-N-[1-[4-[(dimethylamino)methyl]naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 19351101) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-N-[1-[4-[(dimethylamino)methyl]naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-[4-[(dimethylamino)methyl]naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID19351101
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name4-N-[1-[4-[(dimethylamino)methyl]naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
SMILESCC(ONC(=O)c1ccc(C(=O)NO)cc1)c1ccc(CN(C)C)c2ccccc12
InChIInChI=1S/C23H25N3O4/c1-15(30-25-23(28)17-10-8-16(9-11-17)22(27)24-29)19-13-12-18(14-26(2)3)20-6-4-5-7-21(19)20/h4-13,15,29H,14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyVNADWQIEBYTMGY-UHFFFAOYSA-N
XLogP3.44
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.44
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[4-[(dimethylamino)methyl]naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[1-[4-[(dimethylamino)methyl]naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide (CID 19351101) is 4-N-[1-[4-[(dimethylamino)methyl]naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-[4-[(dimethylamino)methyl]naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[1-[4-[(dimethylamino)methyl]naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide is CC(ONC(=O)c1ccc(C(=O)NO)cc1)c1ccc(CN(C)C)c2ccccc12.
What is the InChIKey of 4-N-[1-[4-[(dimethylamino)methyl]naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is VNADWQIEBYTMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15(30-25-23(28)17-10-8-16(9-11-17)22(27)24-29)19-13-12-18(14-26(2)3)20-6-4-5-7-21(19)20/h4-13,15,29H,14H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 4-N-[1-[4-[(dimethylamino)methyl]naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
4-N-[1-[4-[(dimethylamino)methyl]naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[4-[(dimethylamino)methyl]naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 19351101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).