3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide

C20H17NO3 — CID 59599768

IUPAC3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1
InChIInChI=1S/C20H17NO3/c1-21(2)20(24)16-5-3-4-13(11-16)14-6-8-17-15(10-14)7-9-19(23)18(17)12-22/h3-12,23H,1-2H3
InChIKeyNWWPDKVVFKCCIV-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.73
Rot. Bonds3

About 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide

3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide (PubChem CID 59599768) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide
PubChem CID59599768
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1
InChIInChI=1S/C20H17NO3/c1-21(2)20(24)16-5-3-4-13(11-16)14-6-8-17-15(10-14)7-9-19(23)18(17)12-22/h3-12,23H,1-2H3
InChIKeyNWWPDKVVFKCCIV-UHFFFAOYSA-N
XLogP3.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide (CID 59599768) is 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1.
What is the InChIKey of 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide?
The InChIKey is NWWPDKVVFKCCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-21(2)20(24)16-5-3-4-13(11-16)14-6-8-17-15(10-14)7-9-19(23)18(17)12-22/h3-12,23H,1-2H3.
What are the key properties of 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide?
3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide has a molecular weight of 319.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 59599768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).