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

C24H27N3O4 — CID 19351079

IUPAC4-N-[[4-(diethylaminomethyl)naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
SMILESCCN(CC)Cc1ccc(CONC(=O)c2ccc(C(=O)NO)cc2)c2ccccc12
InChIInChI=1S/C24H27N3O4/c1-3-27(4-2)15-19-13-14-20(22-8-6-5-7-21(19)22)16-31-26-24(29)18-11-9-17(10-12-18)23(28)25-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyBLQZFTRDXBRJHR-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.66
Rot. Bonds9

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

4-N-[[4-(diethylaminomethyl)naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 19351079) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-N-[[4-(diethylaminomethyl)naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[[4-(diethylaminomethyl)naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID19351079
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name4-N-[[4-(diethylaminomethyl)naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
SMILESCCN(CC)Cc1ccc(CONC(=O)c2ccc(C(=O)NO)cc2)c2ccccc12
InChIInChI=1S/C24H27N3O4/c1-3-27(4-2)15-19-13-14-20(22-8-6-5-7-21(19)22)16-31-26-24(29)18-11-9-17(10-12-18)23(28)25-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyBLQZFTRDXBRJHR-UHFFFAOYSA-N
XLogP3.66
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.66
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-(diethylaminomethyl)naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[[4-(diethylaminomethyl)naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide (CID 19351079) is 4-N-[[4-(diethylaminomethyl)naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[[4-(diethylaminomethyl)naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[[4-(diethylaminomethyl)naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide is CCN(CC)Cc1ccc(CONC(=O)c2ccc(C(=O)NO)cc2)c2ccccc12.
What is the InChIKey of 4-N-[[4-(diethylaminomethyl)naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is BLQZFTRDXBRJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-3-27(4-2)15-19-13-14-20(22-8-6-5-7-21(19)22)16-31-26-24(29)18-11-9-17(10-12-18)23(28)25-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 4-N-[[4-(diethylaminomethyl)naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide?
4-N-[[4-(diethylaminomethyl)naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.66, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-(diethylaminomethyl)naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 19351079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).